Electronic structure and optical properties of HgSe

Autor:	J.O. Akinlami, O.O. Odeyemi
Jazyk:	angličtina
Rok vydání:	2018
Předmět:	density functional theory structural properties electronic structure optical properties mercury selenide Physics QC1-999
Zdroj:	Semiconductor Physics, Quantum Electronics & Optoelectronics, Vol 21, Iss 3, Pp 288-293 (2018)
Druh dokumentu:	article
ISSN:	1560-8034 1605-6582
DOI:	10.15407/spqeo21.03.288
Popis:	We have performed the density functional theory calculations of mercury selenide compound using the plane-wave pseudo-potential (PWPP) method within the generalized gradient approximation to investigate the electronic structure and dielectric response of this compound in its zinc blende phase. The calculated lattice and volume parameters are in consonance with other experimental and theoretical works. The electronic structure of the compound showed that mercury selenide exhibited a semi-metallic property with a negligible direct band gap of about 0 eV at high symmetry gamma-point. Real and imaginary parts of dielectric function as a function of photon energy have been also obtained.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/9e071e341c2b447ea46a19b8bb9def37 Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF