Original paper

Pressure‐dependent elasto‐mechanical stability and thermoelectric properties of MYbF 3 (M = Rb, Cs) materials for renewable energy

Volume: 45, Issue: 6, Pages: 8711 - 8723
Published: Jan 11, 2021
Abstract
Pressure-dependent elasto-mechanical, thermoelectric and thermodynamic properties of two direct band gap halide perovskites MYbF3 (M = Rb, Cs) have been investigated using density functional theory calculations. These calculations were carried out within Wein2k simulation code aided by generalized gradient approximation, Charpin method, BoltzTrap package and quasi-harmonic Debye model. The computed elastic constants (C11, C12 and C44) are all...
Paper Details
Title
Pressure‐dependent elasto‐mechanical stability and thermoelectric properties of MYbF 3 (M = Rb, Cs) materials for renewable energy
Published Date
Jan 11, 2021
Volume
45
Issue
6
Pages
8711 - 8723
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