Electrical properties and conduction mechanisms of K, Ga co-substituted Na0.5Bi0.5TiO3 ferroelectrics

Xu, Xiaomin; Liu, Xiao; Rao, Rongrong; Zhao, Yuchao; Du, Huiling; Shi, Jing

doi:10.1016/j.ceramint.2020.05.312

Cited by 19 publications

(16 citation statements)

References 43 publications

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“…Moreover, its volumes were larger than that of the Ga 36 N 36 system, because the ionic radius of Mg/Ca (0.072 nm/0.099 nm) [ 35,36 ] is larger than that of Ga (0.062 nm). [ 37 ] The total effects of the radius effect and the repulsive force between Mg/Ca and surrounding Ga were greater than the attraction effect between Mg/Ca and the surrounding N, thereby increasing the volume of the Ga 35 MN 36 (M = Mg/Ca) system. The radius of Be ion (0.045 nm) [ 35 ] is smaller than that of Ga ion (0.062 nm).…”

Section: Resultsmentioning

confidence: 99%

“…Furthermore, their volume was larger than that of the Ga 36 N 36 system, because the ionic radius of Mg/Ca (0.072 nm/0.099 nm) [ 35,36 ] is larger than that of Ga (0.062 nm). [ 37 ] Moreover, the total effects of the radius effect and the repulsive force between the Ga vacancy and the surrounding N were greater than the attraction effect between H and N, Ga vacancy and H, and Ga vacancy and Mg/Ca. The radius of Be ion (0.045 nm) [ 35 ] is smaller than that of Ga ion (0.062 nm), but the repulsive force effect between the Ga vacancy and the surrounding N was greater than the radius effect and the total effects of the attraction between H and N, Ga vacancy and H, and Ga vacancy and Be.…”

Section: Resultsmentioning

confidence: 99%

“…In addition, their volume was larger than that of the Ga 36 N 36 system, because the ionic radius of Mg/Ca (0.072 nm/0.099 nm) [ 35,36 ] is larger than that of Ga (0.062 nm). [ 37 ] The total effects of the radius effect and the repulsive forces between N vacancy and the surrounding Ga, between N vacancy and H, and between N vacancy and Mg/Ca were greater than the attractive effects between N vacancy and the surrounding N and between H and N. The radius of Be ion (0.045 nm) [ 35 ] is smaller than that of Ga ion (0.062 nm), but the repulsive force between N vacancy and the surrounding Ga, between N vacancy and H, and between N vacancy and Be was greater than the total effect of the radius effect and the attraction between H and N and between N vacancy and the surrounding N. The volume of the Ga 35 MN 35 (M = Be/Mg/Ca) and Ga 35 MH i N 35 (M = Be/Mg/Ca) systems was larger than that of the Ga 36 N 36 system.…”

Section: Resultsmentioning

confidence: 99%

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First‐Principles Study of the Effects of Interstitial H and Point Vacancies on the p‐Type of Conductive Properties of Be/Mg/Ca‐Doped GaN

Yin

Hou

Chen

2021

Physica Status Solidi (b)

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Obtaining a reliable positive‐type (p‐type) GaN semiconductor is difficult because of the unipolarity of GaN. This difficulty is one of the bottlenecks restricting the development of GaN‐based optoelectronic devices. To address this problem, this paper adopted the method of generalized gradient approximation (GGA) plane wave ultrasoft pseudopotential based on the framework of density functional theory to construct Ga35MN36, Ga34MN36, and Ga34MHiN36 (M = Be/Mg/Ca; Hi = interstitial hydrogen) models. Ga35MN35 and Ga35MHiN35 (M = Be/Mg/Ca) models were also constructed. Results of our calculations indicated that the Ga35MN35 and Ga35MHiN35 (M = Be/Mg/Ca) models cannot achieve a p‐type doping system. Furthermore, the formation energy of Ga34MN36 and Ga34MHiN36 (M = Be/Mg/Ca) systems was greater under Ga‐rich conditions than that under N‐rich conditions, indicating that both doping systems more readily formed and had a more stable structure under N‐rich conditions. Moreover, the formation energy of Ga34MHiN36 (M = Be/Mg/Ca) system was lower than that of Ga34MN36 (M = Be/Mg/Ca) system, and the existence of interstitial H proved to be beneficial to the improvement in system stability. The Ga34CaHiN36 system had the largest hole mobility and the best conductivity. Therefore, the Ga34CaHiN36 system is an ideal material for the application of conductive GaN devices. This study provides guidance into the preparation of p‐type conductive GaN materials.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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First‐Principles Study of the Effects of Interstitial H and Point Vacancies on the p‐Type of Conductive Properties of Be/Mg/Ca‐Doped GaN

Yin

Hou

Chen

2021

Physica Status Solidi (b)

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“…Oxygen ion conductors have been quite broadly used, such as oxygen pumps, oxygen separation membranes and solid oxide fuel cells (SOFC), etc. [1][2][3][4][5][6]. In the past several decades, there are multitudinous research groups devoting to study oxygen ion  Corresponding author, Tel: +86-911-2650504; Fax: +86-911-2650504, E-mail: wwgissp@126.com conductors [1][2][3].…”

Section: Introductionmentioning

confidence: 99%

“…[1][2][3][4][5][6]. In the past several decades, there are multitudinous research groups devoting to study oxygen ion  Corresponding author, Tel: +86-911-2650504; Fax: +86-911-2650504, E-mail: wwgissp@126.com conductors [1][2][3]. Recently, Na0.5Bi0.5TiO3 (NBT), a ferroelectric material with perovskite structure [7,8], can be found that there is a large leakage conductivity.…”

Section: Introductionmentioning

confidence: 99%

Investigation of Ga doping for non-stoichiometric sodium bismuth titanate ceramics

wang

et al. 2021

J Mater Sci: Mater Electron

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The electrical performance of Ga 3+ doping Na0.5Bi0.5TiO3-based oxygen ion conductor was studied. The Na0.52Bi0.47Ti1-xGaxO3-δ (x=0, 0.01, 0.015, 0.02) samples were fabricated by the means of traditional solid-state reaction. The results of AC impedance measurement show that the bulk conductivity of Na0.52Bi0.47Ti1-xGaxO3-δ samples decrease monotonously with the increase of Ga 3+ doping. At 673 K, the bulk conductivity of the Na0.52Bi0.47Ti0.98Ga0.02O3-δ sample is 7.19×10 -4 S/cm, which is lower than that of Na0.52Bi0.47TiO3-δ sample under the identical test temperature. The highest total conductivity emerges in the Na0.52Bi0.47Ti0.99Ga0.01O3-δ sample with 1.387×10 -4 S/cm at 623 K for the Ga 3+ doping content of 1 mol%, which demonstrate that a slight of Ga 3+ doping supports the enhancement of the total conductivity. A relaxation peak was observed in the Na0.52Bi0.47Ti1-xGaxO3-δ compounds. As the Ga 3+ ions were introduced into the Na0.52Bi0.47TiO3-δ compound, there is an increasing trend of the relaxation activation energy educed by the internal friction test. In addition, the oxygen relaxtion height of Na0.52Bi0.47Ti1-xGaxO3-δ samples decreases along with the introduction of the Ga 3+ doping, suggesting that the introduction of the Ga 3+ leads to the decrease of mobile oxygen vacancy .

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First‐Principles Study on the Effects of Ta Doping and Point Defects of H_i and V_O on the Photoelectric Properties of β‐Ga₂O₃

Yang,

Wen,

Chen

et al. 2023

Physica Status Solidi (b)

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Herein, the photoelectric properties of Ta‐doped β‐Ga2O3 are studied based on first‐principles density functional theory calculation. The effects of interstitial H and O vacancies on the properties of the system are also considered. The electronic structure, dielectric function, absorption spectrum, mobility, and conductivity of all the systems are studied and analyzed. The results show that Ta‐doped β‐Ga2O3 is an n‐type direct‐bandgap semiconductor. With the increase in Ta doping concentration, the dielectric constant, polarization ability, and charge binding ability of the system gradually increase, the bandgap gradually narrows, and the absorption spectra of systems redshift. The main absorption wavelengths of all systems are in the wavelength range of less than 300 nm. Therefore, Ta‐doped β‐Ga2O3 has an ultraviolet detection ability. The introduction of Ta is beneficial to improve the conductivity of the system. Interstitial H can improve the conductivity of the system.

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Electrical properties and conduction mechanisms of K, Ga co-substituted Na0.5Bi0.5TiO3 ferroelectrics

Cited by 19 publications

References 43 publications

First‐Principles Study of the Effects of Interstitial H and Point Vacancies on the p‐Type of Conductive Properties of Be/Mg/Ca‐Doped GaN

First‐Principles Study of the Effects of Interstitial H and Point Vacancies on the p‐Type of Conductive Properties of Be/Mg/Ca‐Doped GaN

Investigation of Ga doping for non-stoichiometric sodium bismuth titanate ceramics

First‐Principles Study on the Effects of Ta Doping and Point Defects of H_i and V_O on the Photoelectric Properties of β‐Ga₂O₃

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Electrical properties and conduction mechanisms of K, Ga co-substituted Na0.5Bi0.5TiO3 ferroelectrics

Cited by 19 publications

References 43 publications

First‐Principles Study of the Effects of Interstitial H and Point Vacancies on the p‐Type of Conductive Properties of Be/Mg/Ca‐Doped GaN

First‐Principles Study of the Effects of Interstitial H and Point Vacancies on the p‐Type of Conductive Properties of Be/Mg/Ca‐Doped GaN

Investigation of Ga doping for non-stoichiometric sodium bismuth titanate ceramics

First‐Principles Study on the Effects of Ta Doping and Point Defects of Hi and VO on the Photoelectric Properties of β‐Ga2O3

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First‐Principles Study on the Effects of Ta Doping and Point Defects of H_i and V_O on the Photoelectric Properties of β‐Ga₂O₃