The First-Principles Investigation of Structural Stability, Mechanical, Vibrational, Thermodynamic, and Optical Properties of CaHfS3 for Optoelectronic Application
In this study, the structural, electronic, elastic, phonon vibration, thermodynamic features, and optical properties of the orthorhombic phase of (space group Pnma) CaHfS3 were examined by first-principles calculations utilizing the plane wave ultrasoft pseudopotentials in generalized gradient appro...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2023-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2023/9332399 |