Electronic structure calculations of magnesium chalcogenides MgS and MgSe

Theoretical results on the structural and the electronic properties of MgS and MgSe are presented. The calculations were made using the full-potential linear muffin-tin orbitals (FP-LMTO) method augmented by a plane wave (PLW) basis. It was found that the electronic properties in the B1, B3 and B4 s...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Physica Status Solidi (b) 2003-12, Vol.240 (3), p.565-573
Hauptverfasser:	RACHED, D, BENKHETTOU, N, SOUDINI, B, ABBAR, B, SEKKAL, N, DRIZ, M
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron density of states and band structure of crystalline solids Electron states Exact sciences and technology Other inorganic compounds Physics Plane-wave methods (including augmented plane-wave method) Theories and models of many electron systems
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Beschreibung
Zusammenfassung:	Theoretical results on the structural and the electronic properties of MgS and MgSe are presented. The calculations were made using the full-potential linear muffin-tin orbitals (FP-LMTO) method augmented by a plane wave (PLW) basis. It was found that the electronic properties in the B1, B3 and B4 structures of these magnesium chalcogenides show good agreement compared to other works. Through these results the power of these calculation methods applied to the magnesium chalcogenides was confirmed.
ISSN:	0370-1972 1521-3951
DOI:	10.1002/pssb.200301889