Zhao, Yu-Jun ; Mahadevan, Priya ; Zunger, Alex (2004) Comparison of predicted ferromagnetic tendencies of Mn substituting the Ga site in III–V’s and in I–III–VI2 chalcopyrite semiconductors Applied Physics Letters, 84 (19). pp. 3753-3755. ISSN 0003-6951
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Official URL: http://aip.scitation.org/doi/10.1063/1.1737466
Related URL: http://dx.doi.org/10.1063/1.1737466
Abstract
We report density-functional calculations of the ferromagnetic (FM) stabilization energy δ=EFM−EAFM for differently oriented Mn pairs in III–V’s (GaN, GaP, GaAs) and chalcopyrite (CuGaS2, CuGaSe2, CuGaTe2) semiconductors. Ferromagnetism is found to be the universal ground state (δ<0) in all cases. The order of FM stability in III–V’s is GaN>GaP>GaAs, whereas in chalcopyrites it is CuGaS2>CuGaSe2>CuGaTe2. Considering both groups, the order is GaN→GaP→GaAs→CuGaS2→CuGaSe2→GaSb≈CuGaTe2. The stronger FM stabilization in III–V’s is attributed to the stronger covalent coupling between the Mn 3d and the anion p orbitals. In contrast to expectations based on Ruderman–Kittel–(Kasuya)–Yosida, (i) all Mn–Mn pair separations show FM, with no FM to antiferromagnetic oscillations and, (ii) FM is orientationally dependent, with 〈110〉 Mn–Mn pairs being the most FM.
Item Type: | Article |
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Source: | Copyright of this article belongs to American Institute of Physics. |
Keywords: | Ferromagnetism; III-V Semiconductors; Semiconductors; Antiferromagnetism; Atomic Force Microscopy |
ID Code: | 102865 |
Deposited On: | 02 Feb 2018 03:54 |
Last Modified: | 02 Feb 2018 03:54 |
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