Electronic structures, elastic properties, and minimum thermal conductivities of cermet M sub(3)AlN

The electronic structures and elastic anisotropies of cubic Ti sub(3)AlN, Zr sub(3)AlN, and Hf sub(3)AlN are investigated by pseudopotential plane-wave method based on density functional theory. At the Fermi level, the electronic structures of these compounds are successive with no energy gap betwee...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of solid state chemistry 2014-08, Vol.216, p.1-8
Hauptverfasser:	Wang, Jin, Chen, ZhiQian, Li, ChunMei, Li, Feng, Nie, ChaoYin
Format:	Artikel
Sprache:	eng
Schlagworte:	Anisotropy Elastic anisotropy Electronic structure Ground state Heat transfer Orbitals Thermal conductivity Valence band
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!