First principles of antiferroelectric solar container
An antiferroelectric material consists of an ordered (crystalline) array of electric dipoles (from the ions and electrons in the material), but with adjacent dipoles oriented in opposite (antiparallel) directions (the dipoles of each orientation form interpenetrating sublattices, loosely analogous to a checkerboard pattern). [1][2] This can be contrasted with a ferroelectric, in which the dipoles all point in the same direction.
As the photovoltaic (PV) industry continues to evolve, advancements in First principles of antiferroelectric solar container have become critical to optimizing the utilization of renewable energy sources. From innovative battery technologies to intelligent energy management systems, these solutions are transforming the way we store and distribute solar-generated electricity.
6 FAQs about [First principles of antiferroelectric solar container]
Can antiferroelectricity be used in nanoelectromechanical systems?This work demonstrates the anisotropic phase transition mechanism and ideal antiferroelectricity with large digital electrostrain in antiferroelectric thin films, offering a new avenue for applications of antiferroelectricity in nanoelectromechanical systems.
Why is antiferroelectricity important?The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the emblematic double hysteresis loop.
Can antiferroelectrics be used for energy storage and conversion applications?Herein, we provide perspectives on the development of antiferroelectrics for energy storage and conversion applications, as well as a comprehensive understanding of the structural origin of antiferroelectricity and field-induced phase transitions, followed by design strategies for new lead-free antiferroelectrics.
When was antiferroelectricity invented?The notion of antiferroelectricity dates back to the early 1950s, and the formal definition of an antiferroelectric (AFE) state was proposed by Kittel in 1951 based on the antiferromagnetism scheme .
Does antiferroelectricity exist?Apart from the conventional perovskite- and fluorite-type oxides, antiferroelectricity was reported to exist in a wide range of unconventional structures as well, which highly broadened the AFE family and understanding of antiferroelectricity.
What are the characteristics of antiferroelectric materials?Antiferroelectric materials show phase transition characteristics such as electric field, temperature, and pressure in the presence of an external field that leads to tremendous electrical properties (Chao et al., 2020).
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List of relevant information about First principles of antiferroelectric solar container
Ferroelectricity at the extreme thickness limit in the archetypal
The famous triple-well potential of antiferroelectric PbZrO3 is modified in the nanocapacitor limit in such a way as to swap the positions of the global and local minima, stabilizing
First principle understanding of antiferroelectric ordering in La-doped
Niranjan, First principle study of lead free piezoelectric AgNbO3 and (Ag1−xKx)NbO3 solid solutions, Solid State Commun., № 152, с. 1707 DOI: 10.1016/j.ssc.2012.05.002 Moriwake, First-principles
Enhancing energy storage performance of antiferroelectric NaNbO
First-principles calculations indicate that inhibiting oxygen vacancy formation raises the bandgap from 1.41 to 2.45 eV, thereby enhancing structural stability and breakdown strength. Guided
Antiferroelectric Material
Antiferroelectric materials are defined as substances that exhibit a transition from an antiferroelectric state to a ferroelectric state under high electric fields, which enhances their dielectric properties and
First-principles study of competing ferroelectric and antiferroelectric
First-principles study of competing ferroelectric and antiferroelectric instabilities in BaTiO 3 / BaO superlattices Eric Bousquet 1,2, Javier Junquera 3, and Philippe Ghosez 1
First-principles studies of multiferroic and magnetoelectric materials
We first give a brief overview of first-principles electronic structure calculations. We emphasize the aspects of first-principles calculations relevant to the study of magnetoelectric and
Bandgap engineering and antiferroelectric stability of tantalum doped
Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu a, Minyuan Zhan a, Danyang Zhang a, Feng Shi a,
First-principle study of multiple metastable charge ordering states in
La doped $ {mathrm {SrFeO}}_ {3}$, $ {mathrm {La}}_ {1/3} {mathrm {Sr}}_ {2/3} {mathrm {FeO}}_ {3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic
Antiferroelectrics: History, fundamentals, crystal chemistry, crystal
Antiferroelectric (AFE) materials are of great interest owing to their scientific rich-ness and their utility in high- energy density capacitors. Here, the history of AFEs is reviewed, and the characteristics of
Bandgap engineering and antiferroelectric stability of tantalum doped
In this theoretical study, we have systematically investigated the electronic, structural, and chemical bonding properties of AgNb1-xTaxO3 (x = 0.00, 0.125, 0.25, 0.375, 0.50, abbreviated
Enhancing energy storage performance of antiferroelectric NaNbO3
The application of Sodium niobate (NaNbO3, NN) ceramics with antiferroelectric (AFE) crystal phase faces the severe limitations in low energy density and efficiency due to the instability of the
First-principles study of ferroelectricity, antiferroelectricity, and
Herein, we report through first-principles calculations that the single-layer γ-AlOOH exhibits intrinsic ferroelectric (FE), antiferroelectric (AFE), and ferroelastic properties.
Ideal antiferroelectricity with large digital electrostrain in PbZrO3
This work demonstrates the anisotropic phase transition mechanism and ideal antiferroelectricity with large digital electrostrain in antiferroelectric thin films, offering a new avenue
First-principles study of the multimode antiferroelectric transition in
Here we present a first-principles investigation to that end.Main modes and their couplings.-We followed the usual first-principles approach to the investigation of a non-reconstructive phase transition, taking
Design of lead-free antiferroelectric (1 − X)NaNbO>3>−xSrSnO>3
A new NaNbO 3 -based composition, namely (1− x)NaNbO 3 −xSrSnO 3, was designed with a combination of first-principles calculations and experimental characterization.
First principle understanding of antiferroelectric ordering in La-doped
The antiferroelectric Pbcm phase of silver niobate (AgNbO3) has received increasing attention owing to its environmental safety (as it is lead-free), compatibility, and superior energy-storage density
Antiferroelectric oxide thin-films: Fundamentals, properties, and
The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the
Structural, elastic, electronic and optical properties of novel
In2013, Bunnette et al. [13,14] used first-principles method to predict a new class of antiferroelectric materials by proposing about 70 compounds that were classified as follow: 37
Antiferroelectricity in thin-film ZrO2 from first principles
re are many more antiferroelectric compounds to be discovered. In this Rapid Communication, we use first-principles calculations to provide clear evidence that the tetragonal phase of ZrO2 is an
Bulk photovoltaic effect in ferroelectric and antiferroelectric phases
We employ first-principles calculations to investigate the ferroelectric properties and the bulk photovoltaic effect (BPVE) of antimony sulfur iodide (SbSI). The BPVE enables direct
Electrocaloric effect in ferroelectric materials: From phase field to
In this review, we will concentrate on the recent development and applications of phase field model and first-principles-derived effective Hamiltonian method in the study of ECE in
Antiferroelectricity in thin film ZrO2 from first principles
Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small
Perspective on antiferroelectrics for energy storage and conversion
First-principle-based calculations of full phonon dispersion, including but not limited to perovskites and their derivatives, can be very helpful in identifying phonon modes and AFE structures.
Bandgap engineering and antiferroelectric stability of tantalum doped
Ceramics International, volume 50, issue 8, pages 13459-13466 Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu 1,
Contact Integrated Localized Bess Provider
Enter your inquiry details, We will reply you in 24 hours.
This work demonstrates the anisotropic phase transition mechanism and ideal antiferroelectricity with large digital electrostrain in antiferroelectric thin films, offering a new avenue for applications of antiferroelectricity in nanoelectromechanical systems.
Why is antiferroelectricity important?The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the emblematic double hysteresis loop.
Can antiferroelectrics be used for energy storage and conversion applications?Herein, we provide perspectives on the development of antiferroelectrics for energy storage and conversion applications, as well as a comprehensive understanding of the structural origin of antiferroelectricity and field-induced phase transitions, followed by design strategies for new lead-free antiferroelectrics.
When was antiferroelectricity invented?The notion of antiferroelectricity dates back to the early 1950s, and the formal definition of an antiferroelectric (AFE) state was proposed by Kittel in 1951 based on the antiferromagnetism scheme .
Does antiferroelectricity exist?Apart from the conventional perovskite- and fluorite-type oxides, antiferroelectricity was reported to exist in a wide range of unconventional structures as well, which highly broadened the AFE family and understanding of antiferroelectricity.
What are the characteristics of antiferroelectric materials?Antiferroelectric materials show phase transition characteristics such as electric field, temperature, and pressure in the presence of an external field that leads to tremendous electrical properties (Chao et al., 2020).
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List of relevant information about First principles of antiferroelectric solar container
Ferroelectricity at the extreme thickness limit in the archetypal
The famous triple-well potential of antiferroelectric PbZrO3 is modified in the nanocapacitor limit in such a way as to swap the positions of the global and local minima, stabilizing
First principle understanding of antiferroelectric ordering in La-doped
Niranjan, First principle study of lead free piezoelectric AgNbO3 and (Ag1−xKx)NbO3 solid solutions, Solid State Commun., № 152, с. 1707 DOI: 10.1016/j.ssc.2012.05.002 Moriwake, First-principles
Enhancing energy storage performance of antiferroelectric NaNbO
First-principles calculations indicate that inhibiting oxygen vacancy formation raises the bandgap from 1.41 to 2.45 eV, thereby enhancing structural stability and breakdown strength. Guided
Antiferroelectric Material
Antiferroelectric materials are defined as substances that exhibit a transition from an antiferroelectric state to a ferroelectric state under high electric fields, which enhances their dielectric properties and
First-principles study of competing ferroelectric and antiferroelectric
First-principles study of competing ferroelectric and antiferroelectric instabilities in BaTiO 3 / BaO superlattices Eric Bousquet 1,2, Javier Junquera 3, and Philippe Ghosez 1
First-principles studies of multiferroic and magnetoelectric materials
We first give a brief overview of first-principles electronic structure calculations. We emphasize the aspects of first-principles calculations relevant to the study of magnetoelectric and
Bandgap engineering and antiferroelectric stability of tantalum doped
Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu a, Minyuan Zhan a, Danyang Zhang a, Feng Shi a,
First-principle study of multiple metastable charge ordering states in
La doped $ {mathrm {SrFeO}}_ {3}$, $ {mathrm {La}}_ {1/3} {mathrm {Sr}}_ {2/3} {mathrm {FeO}}_ {3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic
Antiferroelectrics: History, fundamentals, crystal chemistry, crystal
Antiferroelectric (AFE) materials are of great interest owing to their scientific rich-ness and their utility in high- energy density capacitors. Here, the history of AFEs is reviewed, and the characteristics of
Bandgap engineering and antiferroelectric stability of tantalum doped
In this theoretical study, we have systematically investigated the electronic, structural, and chemical bonding properties of AgNb1-xTaxO3 (x = 0.00, 0.125, 0.25, 0.375, 0.50, abbreviated
Enhancing energy storage performance of antiferroelectric NaNbO3
The application of Sodium niobate (NaNbO3, NN) ceramics with antiferroelectric (AFE) crystal phase faces the severe limitations in low energy density and efficiency due to the instability of the
First-principles study of ferroelectricity, antiferroelectricity, and
Herein, we report through first-principles calculations that the single-layer γ-AlOOH exhibits intrinsic ferroelectric (FE), antiferroelectric (AFE), and ferroelastic properties.
Ideal antiferroelectricity with large digital electrostrain in PbZrO3
This work demonstrates the anisotropic phase transition mechanism and ideal antiferroelectricity with large digital electrostrain in antiferroelectric thin films, offering a new avenue
First-principles study of the multimode antiferroelectric transition in
Here we present a first-principles investigation to that end.Main modes and their couplings.-We followed the usual first-principles approach to the investigation of a non-reconstructive phase transition, taking
Design of lead-free antiferroelectric (1 − X)NaNbO>3>−xSrSnO>3
A new NaNbO 3 -based composition, namely (1− x)NaNbO 3 −xSrSnO 3, was designed with a combination of first-principles calculations and experimental characterization.
First principle understanding of antiferroelectric ordering in La-doped
The antiferroelectric Pbcm phase of silver niobate (AgNbO3) has received increasing attention owing to its environmental safety (as it is lead-free), compatibility, and superior energy-storage density
Antiferroelectric oxide thin-films: Fundamentals, properties, and
The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the
Structural, elastic, electronic and optical properties of novel
In2013, Bunnette et al. [13,14] used first-principles method to predict a new class of antiferroelectric materials by proposing about 70 compounds that were classified as follow: 37
Antiferroelectricity in thin-film ZrO2 from first principles
re are many more antiferroelectric compounds to be discovered. In this Rapid Communication, we use first-principles calculations to provide clear evidence that the tetragonal phase of ZrO2 is an
Bulk photovoltaic effect in ferroelectric and antiferroelectric phases
We employ first-principles calculations to investigate the ferroelectric properties and the bulk photovoltaic effect (BPVE) of antimony sulfur iodide (SbSI). The BPVE enables direct
Electrocaloric effect in ferroelectric materials: From phase field to
In this review, we will concentrate on the recent development and applications of phase field model and first-principles-derived effective Hamiltonian method in the study of ECE in
Antiferroelectricity in thin film ZrO2 from first principles
Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small
Perspective on antiferroelectrics for energy storage and conversion
First-principle-based calculations of full phonon dispersion, including but not limited to perovskites and their derivatives, can be very helpful in identifying phonon modes and AFE structures.
Bandgap engineering and antiferroelectric stability of tantalum doped
Ceramics International, volume 50, issue 8, pages 13459-13466 Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu 1,
Contact Integrated Localized Bess Provider
Enter your inquiry details, We will reply you in 24 hours.
The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the emblematic double hysteresis loop.
Can antiferroelectrics be used for energy storage and conversion applications?Herein, we provide perspectives on the development of antiferroelectrics for energy storage and conversion applications, as well as a comprehensive understanding of the structural origin of antiferroelectricity and field-induced phase transitions, followed by design strategies for new lead-free antiferroelectrics.
When was antiferroelectricity invented?The notion of antiferroelectricity dates back to the early 1950s, and the formal definition of an antiferroelectric (AFE) state was proposed by Kittel in 1951 based on the antiferromagnetism scheme .
Does antiferroelectricity exist?Apart from the conventional perovskite- and fluorite-type oxides, antiferroelectricity was reported to exist in a wide range of unconventional structures as well, which highly broadened the AFE family and understanding of antiferroelectricity.
What are the characteristics of antiferroelectric materials?Antiferroelectric materials show phase transition characteristics such as electric field, temperature, and pressure in the presence of an external field that leads to tremendous electrical properties (Chao et al., 2020).
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List of relevant information about First principles of antiferroelectric solar container
Ferroelectricity at the extreme thickness limit in the archetypal
The famous triple-well potential of antiferroelectric PbZrO3 is modified in the nanocapacitor limit in such a way as to swap the positions of the global and local minima, stabilizing
First principle understanding of antiferroelectric ordering in La-doped
Niranjan, First principle study of lead free piezoelectric AgNbO3 and (Ag1−xKx)NbO3 solid solutions, Solid State Commun., № 152, с. 1707 DOI: 10.1016/j.ssc.2012.05.002 Moriwake, First-principles
Enhancing energy storage performance of antiferroelectric NaNbO
First-principles calculations indicate that inhibiting oxygen vacancy formation raises the bandgap from 1.41 to 2.45 eV, thereby enhancing structural stability and breakdown strength. Guided
Antiferroelectric Material
Antiferroelectric materials are defined as substances that exhibit a transition from an antiferroelectric state to a ferroelectric state under high electric fields, which enhances their dielectric properties and
First-principles study of competing ferroelectric and antiferroelectric
First-principles study of competing ferroelectric and antiferroelectric instabilities in BaTiO 3 / BaO superlattices Eric Bousquet 1,2, Javier Junquera 3, and Philippe Ghosez 1
First-principles studies of multiferroic and magnetoelectric materials
We first give a brief overview of first-principles electronic structure calculations. We emphasize the aspects of first-principles calculations relevant to the study of magnetoelectric and
Bandgap engineering and antiferroelectric stability of tantalum doped
Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu a, Minyuan Zhan a, Danyang Zhang a, Feng Shi a,
First-principle study of multiple metastable charge ordering states in
La doped $ {mathrm {SrFeO}}_ {3}$, $ {mathrm {La}}_ {1/3} {mathrm {Sr}}_ {2/3} {mathrm {FeO}}_ {3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic
Antiferroelectrics: History, fundamentals, crystal chemistry, crystal
Antiferroelectric (AFE) materials are of great interest owing to their scientific rich-ness and their utility in high- energy density capacitors. Here, the history of AFEs is reviewed, and the characteristics of
Bandgap engineering and antiferroelectric stability of tantalum doped
In this theoretical study, we have systematically investigated the electronic, structural, and chemical bonding properties of AgNb1-xTaxO3 (x = 0.00, 0.125, 0.25, 0.375, 0.50, abbreviated
Enhancing energy storage performance of antiferroelectric NaNbO3
The application of Sodium niobate (NaNbO3, NN) ceramics with antiferroelectric (AFE) crystal phase faces the severe limitations in low energy density and efficiency due to the instability of the
First-principles study of ferroelectricity, antiferroelectricity, and
Herein, we report through first-principles calculations that the single-layer γ-AlOOH exhibits intrinsic ferroelectric (FE), antiferroelectric (AFE), and ferroelastic properties.
Ideal antiferroelectricity with large digital electrostrain in PbZrO3
This work demonstrates the anisotropic phase transition mechanism and ideal antiferroelectricity with large digital electrostrain in antiferroelectric thin films, offering a new avenue
First-principles study of the multimode antiferroelectric transition in
Here we present a first-principles investigation to that end.Main modes and their couplings.-We followed the usual first-principles approach to the investigation of a non-reconstructive phase transition, taking
Design of lead-free antiferroelectric (1 − X)NaNbO>3>−xSrSnO>3
A new NaNbO 3 -based composition, namely (1− x)NaNbO 3 −xSrSnO 3, was designed with a combination of first-principles calculations and experimental characterization.
First principle understanding of antiferroelectric ordering in La-doped
The antiferroelectric Pbcm phase of silver niobate (AgNbO3) has received increasing attention owing to its environmental safety (as it is lead-free), compatibility, and superior energy-storage density
Antiferroelectric oxide thin-films: Fundamentals, properties, and
The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the
Structural, elastic, electronic and optical properties of novel
In2013, Bunnette et al. [13,14] used first-principles method to predict a new class of antiferroelectric materials by proposing about 70 compounds that were classified as follow: 37
Antiferroelectricity in thin-film ZrO2 from first principles
re are many more antiferroelectric compounds to be discovered. In this Rapid Communication, we use first-principles calculations to provide clear evidence that the tetragonal phase of ZrO2 is an
Bulk photovoltaic effect in ferroelectric and antiferroelectric phases
We employ first-principles calculations to investigate the ferroelectric properties and the bulk photovoltaic effect (BPVE) of antimony sulfur iodide (SbSI). The BPVE enables direct
Electrocaloric effect in ferroelectric materials: From phase field to
In this review, we will concentrate on the recent development and applications of phase field model and first-principles-derived effective Hamiltonian method in the study of ECE in
Antiferroelectricity in thin film ZrO2 from first principles
Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small
Perspective on antiferroelectrics for energy storage and conversion
First-principle-based calculations of full phonon dispersion, including but not limited to perovskites and their derivatives, can be very helpful in identifying phonon modes and AFE structures.
Bandgap engineering and antiferroelectric stability of tantalum doped
Ceramics International, volume 50, issue 8, pages 13459-13466 Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu 1,
Contact Integrated Localized Bess Provider
Enter your inquiry details, We will reply you in 24 hours.
Herein, we provide perspectives on the development of antiferroelectrics for energy storage and conversion applications, as well as a comprehensive understanding of the structural origin of antiferroelectricity and field-induced phase transitions, followed by design strategies for new lead-free antiferroelectrics.
When was antiferroelectricity invented?The notion of antiferroelectricity dates back to the early 1950s, and the formal definition of an antiferroelectric (AFE) state was proposed by Kittel in 1951 based on the antiferromagnetism scheme .
Does antiferroelectricity exist?Apart from the conventional perovskite- and fluorite-type oxides, antiferroelectricity was reported to exist in a wide range of unconventional structures as well, which highly broadened the AFE family and understanding of antiferroelectricity.
What are the characteristics of antiferroelectric materials?Antiferroelectric materials show phase transition characteristics such as electric field, temperature, and pressure in the presence of an external field that leads to tremendous electrical properties (Chao et al., 2020).
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List of relevant information about First principles of antiferroelectric solar container
Ferroelectricity at the extreme thickness limit in the archetypal
The famous triple-well potential of antiferroelectric PbZrO3 is modified in the nanocapacitor limit in such a way as to swap the positions of the global and local minima, stabilizing
First principle understanding of antiferroelectric ordering in La-doped
Niranjan, First principle study of lead free piezoelectric AgNbO3 and (Ag1−xKx)NbO3 solid solutions, Solid State Commun., № 152, с. 1707 DOI: 10.1016/j.ssc.2012.05.002 Moriwake, First-principles
Enhancing energy storage performance of antiferroelectric NaNbO
First-principles calculations indicate that inhibiting oxygen vacancy formation raises the bandgap from 1.41 to 2.45 eV, thereby enhancing structural stability and breakdown strength. Guided
Antiferroelectric Material
Antiferroelectric materials are defined as substances that exhibit a transition from an antiferroelectric state to a ferroelectric state under high electric fields, which enhances their dielectric properties and
First-principles study of competing ferroelectric and antiferroelectric
First-principles study of competing ferroelectric and antiferroelectric instabilities in BaTiO 3 / BaO superlattices Eric Bousquet 1,2, Javier Junquera 3, and Philippe Ghosez 1
First-principles studies of multiferroic and magnetoelectric materials
We first give a brief overview of first-principles electronic structure calculations. We emphasize the aspects of first-principles calculations relevant to the study of magnetoelectric and
Bandgap engineering and antiferroelectric stability of tantalum doped
Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu a, Minyuan Zhan a, Danyang Zhang a, Feng Shi a,
First-principle study of multiple metastable charge ordering states in
La doped $ {mathrm {SrFeO}}_ {3}$, $ {mathrm {La}}_ {1/3} {mathrm {Sr}}_ {2/3} {mathrm {FeO}}_ {3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic
Antiferroelectrics: History, fundamentals, crystal chemistry, crystal
Antiferroelectric (AFE) materials are of great interest owing to their scientific rich-ness and their utility in high- energy density capacitors. Here, the history of AFEs is reviewed, and the characteristics of
Bandgap engineering and antiferroelectric stability of tantalum doped
In this theoretical study, we have systematically investigated the electronic, structural, and chemical bonding properties of AgNb1-xTaxO3 (x = 0.00, 0.125, 0.25, 0.375, 0.50, abbreviated
Enhancing energy storage performance of antiferroelectric NaNbO3
The application of Sodium niobate (NaNbO3, NN) ceramics with antiferroelectric (AFE) crystal phase faces the severe limitations in low energy density and efficiency due to the instability of the
First-principles study of ferroelectricity, antiferroelectricity, and
Herein, we report through first-principles calculations that the single-layer γ-AlOOH exhibits intrinsic ferroelectric (FE), antiferroelectric (AFE), and ferroelastic properties.
Ideal antiferroelectricity with large digital electrostrain in PbZrO3
This work demonstrates the anisotropic phase transition mechanism and ideal antiferroelectricity with large digital electrostrain in antiferroelectric thin films, offering a new avenue
First-principles study of the multimode antiferroelectric transition in
Here we present a first-principles investigation to that end.Main modes and their couplings.-We followed the usual first-principles approach to the investigation of a non-reconstructive phase transition, taking
Design of lead-free antiferroelectric (1 − X)NaNbO>3>−xSrSnO>3
A new NaNbO 3 -based composition, namely (1− x)NaNbO 3 −xSrSnO 3, was designed with a combination of first-principles calculations and experimental characterization.
First principle understanding of antiferroelectric ordering in La-doped
The antiferroelectric Pbcm phase of silver niobate (AgNbO3) has received increasing attention owing to its environmental safety (as it is lead-free), compatibility, and superior energy-storage density
Antiferroelectric oxide thin-films: Fundamentals, properties, and
The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the
Structural, elastic, electronic and optical properties of novel
In2013, Bunnette et al. [13,14] used first-principles method to predict a new class of antiferroelectric materials by proposing about 70 compounds that were classified as follow: 37
Antiferroelectricity in thin-film ZrO2 from first principles
re are many more antiferroelectric compounds to be discovered. In this Rapid Communication, we use first-principles calculations to provide clear evidence that the tetragonal phase of ZrO2 is an
Bulk photovoltaic effect in ferroelectric and antiferroelectric phases
We employ first-principles calculations to investigate the ferroelectric properties and the bulk photovoltaic effect (BPVE) of antimony sulfur iodide (SbSI). The BPVE enables direct
Electrocaloric effect in ferroelectric materials: From phase field to
In this review, we will concentrate on the recent development and applications of phase field model and first-principles-derived effective Hamiltonian method in the study of ECE in
Antiferroelectricity in thin film ZrO2 from first principles
Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small
Perspective on antiferroelectrics for energy storage and conversion
First-principle-based calculations of full phonon dispersion, including but not limited to perovskites and their derivatives, can be very helpful in identifying phonon modes and AFE structures.
Bandgap engineering and antiferroelectric stability of tantalum doped
Ceramics International, volume 50, issue 8, pages 13459-13466 Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu 1,
The notion of antiferroelectricity dates back to the early 1950s, and the formal definition of an antiferroelectric (AFE) state was proposed by Kittel in 1951 based on the antiferromagnetism scheme .
Does antiferroelectricity exist?Apart from the conventional perovskite- and fluorite-type oxides, antiferroelectricity was reported to exist in a wide range of unconventional structures as well, which highly broadened the AFE family and understanding of antiferroelectricity.
What are the characteristics of antiferroelectric materials?Antiferroelectric materials show phase transition characteristics such as electric field, temperature, and pressure in the presence of an external field that leads to tremendous electrical properties (Chao et al., 2020).
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Selection principles for solar container motors for electrical equipment
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What are the principles of chemical independent solar container
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List of relevant information about First principles of antiferroelectric solar container
Ferroelectricity at the extreme thickness limit in the archetypal
The famous triple-well potential of antiferroelectric PbZrO3 is modified in the nanocapacitor limit in such a way as to swap the positions of the global and local minima, stabilizing
First principle understanding of antiferroelectric ordering in La-doped
Niranjan, First principle study of lead free piezoelectric AgNbO3 and (Ag1−xKx)NbO3 solid solutions, Solid State Commun., № 152, с. 1707 DOI: 10.1016/j.ssc.2012.05.002 Moriwake, First-principles
Enhancing energy storage performance of antiferroelectric NaNbO
First-principles calculations indicate that inhibiting oxygen vacancy formation raises the bandgap from 1.41 to 2.45 eV, thereby enhancing structural stability and breakdown strength. Guided
Antiferroelectric Material
Antiferroelectric materials are defined as substances that exhibit a transition from an antiferroelectric state to a ferroelectric state under high electric fields, which enhances their dielectric properties and
First-principles study of competing ferroelectric and antiferroelectric
First-principles study of competing ferroelectric and antiferroelectric instabilities in BaTiO 3 / BaO superlattices Eric Bousquet 1,2, Javier Junquera 3, and Philippe Ghosez 1
First-principles studies of multiferroic and magnetoelectric materials
We first give a brief overview of first-principles electronic structure calculations. We emphasize the aspects of first-principles calculations relevant to the study of magnetoelectric and
Bandgap engineering and antiferroelectric stability of tantalum doped
Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu a, Minyuan Zhan a, Danyang Zhang a, Feng Shi a,
First-principle study of multiple metastable charge ordering states in
La doped $ {mathrm {SrFeO}}_ {3}$, $ {mathrm {La}}_ {1/3} {mathrm {Sr}}_ {2/3} {mathrm {FeO}}_ {3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic
Antiferroelectrics: History, fundamentals, crystal chemistry, crystal
Antiferroelectric (AFE) materials are of great interest owing to their scientific rich-ness and their utility in high- energy density capacitors. Here, the history of AFEs is reviewed, and the characteristics of
Bandgap engineering and antiferroelectric stability of tantalum doped
In this theoretical study, we have systematically investigated the electronic, structural, and chemical bonding properties of AgNb1-xTaxO3 (x = 0.00, 0.125, 0.25, 0.375, 0.50, abbreviated
Enhancing energy storage performance of antiferroelectric NaNbO3
The application of Sodium niobate (NaNbO3, NN) ceramics with antiferroelectric (AFE) crystal phase faces the severe limitations in low energy density and efficiency due to the instability of the
First-principles study of ferroelectricity, antiferroelectricity, and
Herein, we report through first-principles calculations that the single-layer γ-AlOOH exhibits intrinsic ferroelectric (FE), antiferroelectric (AFE), and ferroelastic properties.
Ideal antiferroelectricity with large digital electrostrain in PbZrO3
This work demonstrates the anisotropic phase transition mechanism and ideal antiferroelectricity with large digital electrostrain in antiferroelectric thin films, offering a new avenue
First-principles study of the multimode antiferroelectric transition in
Here we present a first-principles investigation to that end.Main modes and their couplings.-We followed the usual first-principles approach to the investigation of a non-reconstructive phase transition, taking
Design of lead-free antiferroelectric (1 − X)NaNbO>3>−xSrSnO>3
A new NaNbO 3 -based composition, namely (1− x)NaNbO 3 −xSrSnO 3, was designed with a combination of first-principles calculations and experimental characterization.
First principle understanding of antiferroelectric ordering in La-doped
The antiferroelectric Pbcm phase of silver niobate (AgNbO3) has received increasing attention owing to its environmental safety (as it is lead-free), compatibility, and superior energy-storage density
Antiferroelectric oxide thin-films: Fundamentals, properties, and
The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the
Structural, elastic, electronic and optical properties of novel
In2013, Bunnette et al. [13,14] used first-principles method to predict a new class of antiferroelectric materials by proposing about 70 compounds that were classified as follow: 37
Antiferroelectricity in thin-film ZrO2 from first principles
re are many more antiferroelectric compounds to be discovered. In this Rapid Communication, we use first-principles calculations to provide clear evidence that the tetragonal phase of ZrO2 is an
Bulk photovoltaic effect in ferroelectric and antiferroelectric phases
We employ first-principles calculations to investigate the ferroelectric properties and the bulk photovoltaic effect (BPVE) of antimony sulfur iodide (SbSI). The BPVE enables direct
Electrocaloric effect in ferroelectric materials: From phase field to
In this review, we will concentrate on the recent development and applications of phase field model and first-principles-derived effective Hamiltonian method in the study of ECE in
Antiferroelectricity in thin film ZrO2 from first principles
Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small
Perspective on antiferroelectrics for energy storage and conversion
First-principle-based calculations of full phonon dispersion, including but not limited to perovskites and their derivatives, can be very helpful in identifying phonon modes and AFE structures.
Bandgap engineering and antiferroelectric stability of tantalum doped
Ceramics International, volume 50, issue 8, pages 13459-13466 Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu 1,
Apart from the conventional perovskite- and fluorite-type oxides, antiferroelectricity was reported to exist in a wide range of unconventional structures as well, which highly broadened the AFE family and understanding of antiferroelectricity.
What are the characteristics of antiferroelectric materials?Antiferroelectric materials show phase transition characteristics such as electric field, temperature, and pressure in the presence of an external field that leads to tremendous electrical properties (Chao et al., 2020).
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Bandgap engineering and antiferroelectric stability of tantalum doped
Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu a, Minyuan Zhan a, Danyang Zhang a, Feng Shi a,
First-principle study of multiple metastable charge ordering states in
La doped $ {mathrm {SrFeO}}_ {3}$, $ {mathrm {La}}_ {1/3} {mathrm {Sr}}_ {2/3} {mathrm {FeO}}_ {3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic
Antiferroelectrics: History, fundamentals, crystal chemistry, crystal
Antiferroelectric (AFE) materials are of great interest owing to their scientific rich-ness and their utility in high- energy density capacitors. Here, the history of AFEs is reviewed, and the characteristics of
Bandgap engineering and antiferroelectric stability of tantalum doped
In this theoretical study, we have systematically investigated the electronic, structural, and chemical bonding properties of AgNb1-xTaxO3 (x = 0.00, 0.125, 0.25, 0.375, 0.50, abbreviated
Enhancing energy storage performance of antiferroelectric NaNbO3
The application of Sodium niobate (NaNbO3, NN) ceramics with antiferroelectric (AFE) crystal phase faces the severe limitations in low energy density and efficiency due to the instability of the
First-principles study of ferroelectricity, antiferroelectricity, and
Herein, we report through first-principles calculations that the single-layer γ-AlOOH exhibits intrinsic ferroelectric (FE), antiferroelectric (AFE), and ferroelastic properties.
Ideal antiferroelectricity with large digital electrostrain in PbZrO3
This work demonstrates the anisotropic phase transition mechanism and ideal antiferroelectricity with large digital electrostrain in antiferroelectric thin films, offering a new avenue
First-principles study of the multimode antiferroelectric transition in
Here we present a first-principles investigation to that end.Main modes and their couplings.-We followed the usual first-principles approach to the investigation of a non-reconstructive phase transition, taking
Design of lead-free antiferroelectric (1 − X)NaNbO>3>−xSrSnO>3
A new NaNbO 3 -based composition, namely (1− x)NaNbO 3 −xSrSnO 3, was designed with a combination of first-principles calculations and experimental characterization.
First principle understanding of antiferroelectric ordering in La-doped
The antiferroelectric Pbcm phase of silver niobate (AgNbO3) has received increasing attention owing to its environmental safety (as it is lead-free), compatibility, and superior energy-storage density
Antiferroelectric oxide thin-films: Fundamentals, properties, and
The first attribute of antiferroelectricity is the ability to be switched from a nonpolar state to a polar state by electric field below the breakdown strength of the material, giving rise to the
Structural, elastic, electronic and optical properties of novel
In2013, Bunnette et al. [13,14] used first-principles method to predict a new class of antiferroelectric materials by proposing about 70 compounds that were classified as follow: 37
Antiferroelectricity in thin-film ZrO2 from first principles
re are many more antiferroelectric compounds to be discovered. In this Rapid Communication, we use first-principles calculations to provide clear evidence that the tetragonal phase of ZrO2 is an
Bulk photovoltaic effect in ferroelectric and antiferroelectric phases
We employ first-principles calculations to investigate the ferroelectric properties and the bulk photovoltaic effect (BPVE) of antimony sulfur iodide (SbSI). The BPVE enables direct
Electrocaloric effect in ferroelectric materials: From phase field to
In this review, we will concentrate on the recent development and applications of phase field model and first-principles-derived effective Hamiltonian method in the study of ECE in
Antiferroelectricity in thin film ZrO2 from first principles
Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small
Perspective on antiferroelectrics for energy storage and conversion
First-principle-based calculations of full phonon dispersion, including but not limited to perovskites and their derivatives, can be very helpful in identifying phonon modes and AFE structures.
Bandgap engineering and antiferroelectric stability of tantalum doped
Ceramics International, volume 50, issue 8, pages 13459-13466 Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles Yonghao Xu 1,
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