Ti2PTe2 chalcogenide: A comprehensive DFT study on physical properties
We have investigated the structural, mechanical, lattice dynamics, electronic, optical and thermal properties of Ti2PTe2 chalcogenide using density functional theory for the first time. The optimized unit cell parameters show excellent agreement with experimental values. The stability of Ti2PTe2 is...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-04-01
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| Series: | Next Materials |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949822824003320 |
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