Structural, electronic, mechanical, and dynamical properties of scandium carbide

Structural, electronic, mechanical, and dynamical properties of scandium carbide

We report results of first-principles calculations for the structural, mechanical, dynamical and electronic properties of Scandium Carbide (ScC) compound, using a Full-Potential Linearized-Augmented Plane Wave (FP-LAPW) method based on density functional theory, within the generalized gradient appro...

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Bibliographic Details
Main Authors: Mohammed S. Abu-Jafar, Vincent Leonhardi, Raed Jaradat, Ahmad A. Mousa, Samah Al-Qaisi, Nada T. Mahmoud, Ahmed Bassalat, R. Khenata, A. Bouhemadou
Format: Article
Language:English
Published: Elsevier 2021-02-01
Series:Results in Physics
Subjects:
Elastic
Electronic
Optical
Transition pressure
FP-LAPW
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379720322105

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http://www.sciencedirect.com/science/article/pii/S2211379720322105

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