Study of half metallic nature and transport properties of XMnSe2 (X = Ca, Sr and Ba) compounds via ab-initio calculations

Study of half metallic nature and transport properties of XMnSe2 (X = Ca, Sr and Ba) compounds via ab-initio calculations

In this work, we examine the half-metallic nature, optical and transport properties of ternary manganese selenides XMnSe2 (X = Ca, Sr and Ba) by means of the ab-initio calculations. Hexagonal structures of these selenides have been explored using generalized gradient approximation (GGA) and predicte...

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Bibliographic Details
Main Authors: N. Yaqoob, G. Murtaza, M. Waqas Iqbal, N.A. Noor, Asif Mahmood, Shahid M. Ramay, Waheed Al-Masry, Najib Y.A. Al-Garadi
Format: Article
Language:English
Published: Elsevier 2020-09-01
Series:Journal of Materials Research and Technology
Subjects:
Ab-initio calculations
Crystal structure
Half-metallic materials
Magnetic properties
Energy devices
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785420315350

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http://www.sciencedirect.com/science/article/pii/S2238785420315350

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