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±êÌâ: Electronic and magnetic properties of a new diluted magnetic semiconductor Li(Zn,TM) As (TM:V, Cr, Mn, Fe, Co and Ni)
×÷Õß: Tao, HL (Tao, H. L.); Lina, L (Lina, L.); Zhang, ZH (Zhang, Z. H.); He, M (He, M.); Song, B (Song, B.)
À´Ô´³ö°æÎï: CHEMICAL PHYSICS LETTERS  ¾í: 657  Ò³: 39-43  DOI: 10.1016/j.cplett.2016.05.053  ³ö°æÄê: JUL 16 2016  
Web of Science ºËÐĺϼ¯ÖÐµÄ "±»ÒýƵ´Î": 0
±»ÒýƵ´ÎºÏ¼Æ: 0
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ÕªÒª: First-principles calculations were performed to study electronic structures and magnetic properties of transition metal (TM) doped LiZnAs system. V, Mn, Fe and Co doped LiZnAs preferred anti-ferromagnetic states while no magnetisms were found for Cr and Ni-doped LiZnAs system. In contrast, V/Li, Cr/Li, Mn/Li, Fe/Li and Co/Li codoped LiZnAs preferred ferromagnetic couplings between the TM atoms other than the anti-ferromagnetic states. Thus off-stoichiometry of Li is very essential for the preparation of ferromagnetic LiZnAs materials. For Ni/Li-codoped LiZnAs, anti-ferromagnetic is more stable, which is resulted from the through-bond spin polarization mechanism. (C) 2016 Elsevier B.V. All rights reserved.
Èë²ØºÅ: WOS:000383444700007
ÓïÖÖ: English
ÎÄÏ×ÀàÐÍ: Article
×÷Õ߹ؼü´Ê: Diluted magnetic semiconductors; Electronic structure; Magnetism mechanism; First-principle
KeyWords Plus: FERROMAGNETISM
µØÖ·: [Tao, H. L.; Lina, L.; Zhang, Z. H.; He, M.] Dalian Jiaotong Univ, Sch Mat Sci & Engn, Liaoning Key Mat Lab Railway, Dalian 116028, Peoples R China.
[Lina, L.] Henan Polytech Univ, Sch Math & Informat, Jiaozuo City 454003, Henan Province, Peoples R China.
[Song, B.] Harbin Inst Technol, Acad Fundamental & Interdisciplinary Sci, Harbin 150080, Peoples R China.
ͨѶ×÷ÕßµØÖ·: Zhang, ZH (ͨѶ×÷Õß),Dalian Jiaotong Univ, Sch Mat Sci & Engn, Liaoning Key Mat Lab Railway, Dalian 116028, Peoples R China.
µç×ÓÓʼþµØÖ·: zhzhang@djtu.edu.cn
³ö°æÉÌ: ELSEVIER SCIENCE BV
³ö°æÉ̵ØÖ·: PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Web of Science Àà±ð: Chemistry, Physical; Physics, Atomic, Molecular & Chemical
Ñо¿·½Ïò: Chemistry; Physics
IDS ºÅ: DW2AG
ISSN: 0009-2614
eISSN: 1873-4448
29 ×Ö·ûµÄÀ´Ô´³ö°æÎïÃû³ÆËõд: CHEM PHYS LETT
ISO À´Ô´³ö°æÎïËõд: Chem. Phys. Lett.
À´Ô´³ö°æÎïÒ³Âë¼ÆÊý: 5
»ù½ð×ÊÖúÖÂл:
»ù½ð×ÊÖú»ú¹¹        ÊÚȨºÅ
National Natural Science Foundation of China        
51372027
51372026
51372056
This work was sponsored by National Natural Science Foundation of China under Grant Nos. 51372027, 51372026, and 51372056.
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