Temperature-dependent properties of magnetic CuFeS2 from first-principles calculations: Structure, mechanics, and thermodynamics

Temperature-dependent properties of magnetic CuFeS2 from first-principles calculations: Structure, mechanics, and thermodynamics

Chalcopyrite (CuFeS2) is an antiferromagnetic semiconductor with promising magnetic and electrical properties, although these properties are not yet completely understood. The structural, magnetic, and electronic properties of bulk CuFeS2 were studied via first-principles plane-wave pseudopotential...

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Bibliographic Details
Main Authors: Rasoul Khaledialidusti, Abhishek Kumar Mishra, Afrooz Barnoush
Format: Article
Language:English
Published: AIP Publishing LLC 2019-06-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.5084308

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