First-principles study of the electronic and optical properties of zincblende zinc selenide

We present the results of an ab initio theoretical study of the electronic and optical properties of zinc selenide (ZnSe) with zincblende structure performed using the full potential linearized augmented plane wave (FP-LAPW) method. Our calculated results are in good agreement with recent experiment...

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Veröffentlicht in:	Physica. B, Condensed matter Condensed matter, 2003-09, Vol.337 (1), p.1-9
1. Verfasser:	Okoye, C.M.I
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Density functional theory, local density approximation Electron density of states and band structure of crystalline solids Electron states Electronic structure Exact sciences and technology Full potential linearized augmented plane wave method Generalized gradient approximation Local density approximation Optical properties Physics Plane-wave methods (including augmented plane-wave method) Semiconductor compounds Theories and models of many electron systems
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Beschreibung
Zusammenfassung:	We present the results of an ab initio theoretical study of the electronic and optical properties of zinc selenide (ZnSe) with zincblende structure performed using the full potential linearized augmented plane wave (FP-LAPW) method. Our calculated results are in good agreement with recent experimental measurements. The optical spectra are analyzed and origin of some of the peaks in the spectra are discussed in terms of the calculated electronic structure.
ISSN:	0921-4526 1873-2135
DOI:	10.1016/S0921-4526(03)00175-3