A Theoretical Study of Structural, Electronic and Elastic Properties of the Antiperovskite SnNCa3

The structural, mechanical, electronic and phonon properties of antiperovskite SnNCa<sub>3</sub> compound in the cubic phase were systematically investigated by means of the density functional theory. The computed lattice constants and bulk modulus are well in accordance with the literat...

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Bibliographic Details
Main Authors: Selgin AL, Ahmet İYİGÖR
Format: Article
Language:English
Published: Suleyman Demirel University 2018-05-01
Series:Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi
Subjects:
DFT
Online Access:http://dergipark.ulakbim.gov.tr/sdufenbed/article/view/5000214611