Electron, phonon, optical and thermodynamic properties of CdTe crystal calculated by DFT

Electron, phonon, optical and thermodynamic properties of CdTe crystal calculated by DFT

Electronic and phonon band structure, thermodynamic and optical properties are studied for the CdTe crystal. We calculated the electron and phonon dispersion at high symmetry directions, density of electron and phonon state, temperature dependence feature of Raman spectra, heat capacity, free energy...

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Bibliographic Details
Main Authors: H.A. Ilchuk, L.I. Nykyruy, A.I. Kashuba, I.V. Semkiv, M.V. Solovyov, B.P. Naidych, V.M. Kordan, L.R. Deva, M.S. Karkulovska, R.Y. Petrus
Format: Article
Language:English
Published: Vasyl Stefanyk Precarpathian National University 2022-05-01
Series:Фізика і хімія твердого тіла
Subjects:
density functional theory
band structure
optical functions
thermodynamic properties
Online Access:https://journals.pnu.edu.ua/index.php/pcss/article/view/5840

Internet

https://journals.pnu.edu.ua/index.php/pcss/article/view/5840

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