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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2019-06-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5084308 |