Electronic and optical properties of β-HgS

Electronic and optical properties of β-HgS have been investigated using the density functional theory. The calculated lattice parameter is 6.043 Å, the bulk modulus is 57.17 GPa, the equilibrium volume is 55.25 Å3. From the band structure, a direct band gap of 0.00002 eV was obtained, which agreed w...

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Bibliographic Details
Main Author: J.O. Akinlami
Format: Artigo
Language:Inglês
Published: National Academy of Sciences of Ukraine. Institute of Semi conductor physics. 2019-06-01
Series:Semiconductor Physics, Quantum Electronics & Optoelectronics
Subjects:
mercury sulphide
electronic properties
optical properties
density functional theory
plane-wave pseudopotential method
Online Access:http://journal-spqeo.org.ua/n2_2019/P150-155abstr.html
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