Electronic structure, mechanical, optical and thermodynamic properties of cubic perovskite InBeF3 with pressure effects: First-principles calculations
The electronic structure, mechanical, optical and thermodynamic properties of cubic fluoroperovskite InBeF3 under high pressure were studied for the first time. The lattice parameter of the optimized InBeF3 crystal is 3.853 Å, which agrees well with the literature value (3.846 Å). The calculated pha...
Main Authors: | , , , , , |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2023-07-01
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Series: | Results in Physics |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379723003832 |