📚 Volume 30, Issue 5
📋 ID: e9ZuHZT
Authors
Mykola Suzuki, Olivier Thompson
, Olivier Thompson
Department of Materials Science, University of Science and Technology of China, Hefei, China
Keywords
Elastic Properties
Optical Properties
Zinc-Blende
Material Science
Semiconductors
Abstract
The elastic, optical and effective mass properties of CrSb in Zinc Blende (ZB) phase were investigated. The calculations were carried out using the full potential linearized augmented plane wave plus local orbital according to the Density Functional Theory (DFT). The results of elastic calculations by GGA and LDA approximations indicate that ZB CrSb is a ductile material and its Debye temperature is rather low. Band structure and DOS calculations introduce the ZB CrSb as a half-metal with spin polarization of 100%. In metal state 16th and 17th bands cut off the Fermi level. Calculations study the effective mass, Fermi velocity and Fermi surface at 16th and 17th Bands. In continue, optical quantities such as dielectric function, energy loss function and optical conductivity have been investigated.
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📝 How to Cite
Mykola Suzuki, Olivier Thompson , Olivier Thompson (2023).
"The investigation on Elastic and Optical properties of the zinc-blende CrSb and its effective mass".
Wulfenia, 30(5).
