| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Stable Intrinsic Long Range Antiferromagnetic Coupling in Dilutely V Doped Chalcopyrite |
| Weiyi Gong, Ching-Him Leung, Chuen-Keung Sin, Jingzhao Zhang, Xiaodong Zhang, Bin Xi, Junyi Zhu** |
Department of Physics, The Chinese University of Hong Kong, Hong Kong
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| Cite this article: |
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Weiyi Gong, Ching-Him Leung, Chuen-Keung Sin et al 2020 Chin. Phys. Lett. 37 027501 |
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Abstract A stable and long-range antiferromagnetic (AFM) coupling without charge carrier mediators has been searched for a long time, but the existence of this kind of coupling is still lacking. Based on first principle calculations, we systematically study carrier free long-range AFM coupling in four transition metal chalcopyrite systems: ABTe$_2$ (A = Cu or Ag, B = Ga or In) in the dilute doping case. The AFM coupling is mainly due to the $p$–$d$ coupling and electron redistribution along the interacting chains. The relatively small energy difference between $p$ and $d$ orbitals, as well as between dopants and atoms in the middle of the chain can enhance the stability of long-range AFM configurations. A multi-band Hubbard model is proposed to provide fundamental understanding of long-range AFM coupling.
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Received: 03 October 2019
Published: 18 January 2020
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| PACS: |
75.50.Pp
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(Magnetic semiconductors)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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75.30.Et
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(Exchange and superexchange interactions)
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| Fund: Supported by Chinese University of Hong Kong (CUHK) under Grant No. 4053084, University Grants Committee of Hong Kong under Grant No. 24300814, and Start-Up Funding of CUHK. |
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| [1] | Wang Y Y, Song C, Zhang J Y and Pan F 2017 Prog. Nat. Sci.: Mater. Int. 27 208 | | [2] | Baltz V, Manchon A, Tsoi M, Moriyama T, Ono T and Tserkovnyak Y 2018 Rev. Mod. Phys. 90 015005 | | [3] | Fukami S, Zhang C, DuttaGupta S, Kurenkov A and Ohno H 2016 Nat. Mater. 15 535 | | [4] | Cheng R, Xiao J, Niu Q and Brataas A 2014 Phys. Rev. Lett. 113 057601 | | [5] | Shirane G, Nathans R and Chen C W 1964 Phys. Rev. 134 A1547 | | [6] | Zaja̧c M, Gosk J, Kamińska M, Twardowski A, Szyszko T and Podsiadł{o} S 2001 Appl. Phys. Lett. 79 2432 | | [7] | Ruderman M A and Kittel C 1954 Phys. Rev. 96 99 | | [8] | Kasuya T 1956 Prog. Theor. Phys. 16 45 | | [9] | Yosida K 1957 Phys. Rev. 106 893 | | [10] | Anderson P W 1950 Phys. Rev. 79 350 | | [11] | Goodenough J B 1955 Phys. Rev. 100 564 | | [12] | Raebiger H, Lany S and Zunger A 2007 Phys. Rev. Lett. 99 167203 | | [13] | Ku W, Rosner H, Pickett W E and Scalettar R T 2002 Phys. Rev. Lett. 89 167204 | | [14] | Akamatsu H, Kumagai Y, Oba F, Fujita K, Murakami H, Tanaka K and Tanaka I 2011 Phys. Rev. B 83 214421 | | [15] | Zhang X, Liu K, He J Q, Wu H, Huang Q Z, Lin J H, Lu Z Y and Huang F Q 2015 Sci. Rep. 5 15910 | | [16] | Xiang H, Lee C, Koo H J, Gong X and Whangbo M H 2013 Dalton Trans. 42 823 | | [17] | Chan C K, Zhang X D, Zhang Y O, Tse K F, Deng B, Zhang J Z and Zhu J Y 2018 Chin. Phys. Lett. 35 017502 | | [18] | Zhang X D, Zhang J Z, Tse K F, Zhang S B and Zhu J Y 2019 Phys. Rev. B 99 134435 | | [19] | Coury M E A, Dudarev S L, Foulkes W M C, Horsfield A P, Ma P W and Spencer J S 2016 Phys. Rev. B 93 075101 | | [20] | Jaffe J E and Zunger A 1984 Phys. Rev. B 29 1882 | | [21] | Yoodee K, Woolley J C, and Sa-yakanit V 1984 Phys. Rev. B 30 5904 | | [22] | Slater J C and Koster G F 1954 Phys. Rev. 94 1498 |
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