Structural, electronic, elastic, thermoelectric and thermodynamic properties of the NbMSb half heusler (M=Fe, Ru, Os) compounds with first principle calculations

The structural, electronic, elastic, thermoelectric and thermodynamic properties of NbMSb (M = Fe, Ru, Os) half heusler compounds are reported. The full-potential linearized augmented plane wave (FP-LAPW) plus local orbital (lo) method, based on the density functional theory (DFT) was employed for t...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Superlattices and microstructures 2016-05, Vol.93, p.171-185
Hauptverfasser:	Abid, O.Miloud, Menouer, S., Yakoubi, A., Khachai, H., Omran, S. Bin, Murtaza, G., Prakash, Deo, Khenata, R., Verma, K.D.
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Crystal structure Density of states Elastic constants Elastic properties Electronic structure Electronics Mathematical models Plane waves Thermal properties Thermodynamic properties Thermoelectricity Transport properties
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!