Comparative <i>ab initio</i> calculations of SrTiO<sub>3</sub>, BaTiO<sub>3</sub>, PbTiO<sub>3</sub>, and SrZrO<sub>3</sub> (001) and (111) surfaces as well as oxygen vacancies-Reference-Cited by-同舟云学术

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Comparative ab initio calculations of SrTiO₃, BaTiO₃, PbTiO₃, and SrZrO₃ (001) and (111) surfaces as well as oxygen vacancies

Published:2022-01 Issue:1 Volume:48 Page:80-88
ISSN:1063-777X
Container-title:Low Temperature Physics
language:en
Short-container-title:Low Temperature Physics

Author:

Eglitis R. I.¹,Kotomin E. A.¹,Popov A. I.¹,Kruchinin S. P.²,Jia Ran¹³

Affiliation:

1. Institute of Solid State Physics, University of Latvia, Riga LV 1063, Latvia

2. Bogolyubov Institute for Theoretical Physics of the National Academy of Sciences of Ukraine, Kyiv 03143, Ukraine

3. Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, PR China

Publisher

AIP Publishing

Subject

General Physics and Astronomy,Physics and Astronomy (miscellaneous)

Link

https://aip.scitation.org/doi/pdf/10.1063/10.0008968

Reference98 articles.

1. Magnetism and multiferroic properties at MnTiO3 surfaces: A DFT study

2. Highly intense violet-blue light emission at room temperature in structurally disordered SrZrO3 powders

3. Oxygen isotope exchange in doped calcium and barium zirconates

4. Ab initio calculations of CaZrO3 (011) surfaces: systematic trends in polar (011) surface calculations of ABO3 perovskites

5. Critical effects in optical response due to charge transfer vibronic excitons and their structure in perovskite-like systems

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. First-principles study on the Te/Po doped SrTiO3 (100) surface for photocatalytic overall water splitting to produce hydrogen;Surfaces and Interfaces;2024-08

2. Rare-Earth Regulation in the Crystal Structure, Electronic Structure, and Metal-To-Insulator Transitions of the High Oxygen Pressure-Annealed Re_0.33Sr_0.67FeO₃;The Journal of Physical Chemistry C;2024-01-05

3. ABO₃ perovskite as well as BaF₂, SrF₂ and CaF₂ bulk and surface F-center first principles predictions;Modern Physics Letters B;2023-11-28

4. Ab initio computations of BaZrO₃, CaTiO₃, SrTiO₃ perovskite as well as WO₃ and ReO₃ (001) surfaces;Low Temperature Physics;2022-10

5. Synthesis and Magnetic Properties of Carbon Doped and Reduced SrTiO3 Nanoparticles;Crystals;2022-09-08

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