Effect of Stress on Electronic, Optical, Elastic, and Mechanical Properties of Potassium Tantalum Oxide (KTaO3): A DFT Study-Reference-Cited by-同舟云学术

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Effect of Stress on Electronic, Optical, Elastic, and Mechanical Properties of Potassium Tantalum Oxide (KTaO3): A DFT Study

Published:2023-05-31 Issue:8 Volume:52 Page:5631-5641
ISSN:0361-5235
Container-title:Journal of Electronic Materials
language:en
Short-container-title:J. Electron. Mater.

Author:

Khan M. Ijaz^ORCID,Zaidi S. M. Junaid,Sahar M. Sana Ullah,Gillani S. S. A.,Qaisrani Mumtaz A.,Farooq M. Umer

Publisher

Springer Science and Business Media LLC

Subject

Materials Chemistry,Electrical and Electronic Engineering,Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

https://link.springer.com/content/pdf/10.1007/s11664-023-10484-w.pdf

Reference35 articles.

1. J.A. Abraham, DFT-focused estimation of mechanical, thermoelectric and thermodynamic properties of ACdF3 (A = K, Rb, Cs) fluroperovskites. Int. J. Mod. Phys. (2019). https://doi.org/10.1142/S0217979219503144.

2. M. Awais, I. Zeba, S.S.A. Gillani, M. Shakil, and M. Rizwan, First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical, anisotropic, electronic and optical properties. J. Phys. Chem. Solids 169, 110878 (2022). https://doi.org/10.1016/J.JPCS.2022.110878.

3. A.R. Benrekia, N. Benkhettou, A. Nassour, M. Driz, M. Sahnoun, and S. Lebègue, Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: ab initio and GW calculations. Physica B Condens. Matter 407, 2632–2636 (2012). https://doi.org/10.1016/J.PHYSB.2012.04.013.

4. H. Bouafia, S. Hiadsi, B. Abidri, A. Akriche, L. Ghalouci, and B. Sahli, Structural, elastic, electronic and thermodynamic properties of KTaO3 and NaTaO3: ab initio investigations. Comput. Mater. Sci. Complete (2013). https://doi.org/10.1016/J.COMMATSCI.2013.03.030.

5. S. Cabuk, Ab initio volume-dependent elastic and lattice dynamics properties of KTaO3. Physica Status Solidi (b) 247, 93–97 (2010). https://doi.org/10.1002/PSSB.200945294.

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1. Insight into the electronic, elastic, structural, thermal, and optical characteristics of potassium magnesium fluoride KMgF3 with isotropic external stress;Heliyon;2024-09

2. Exploring the Hydrostatic Stress Effects on the Mechanical, Electronic, Thermal, and Optical Characteristics of Cubic ThBeO3;Journal of Inorganic and Organometallic Polymers and Materials;2024-08-08

3. Effects of isotropic stress on the band structure elastic, optical, thermal, and x-ray diffraction properties of TiSnO3;Journal of Molecular Modeling;2024-07-03

4. Investigating stress-induced effects on the multifaceted properties of cubic NaTaO ₃ perovskite oxide: prospects for advanced applications;Molecular Physics;2024-05-07

5. Stress-induced transformation on the cubic perovskite RbTaO3 for high-temperature applications: a DFT approach;Journal of Computational Electronics;2024-04-25

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