Na and Cr co-doped BaCd2As2: A hexagonal structured diluted magnetic semiconductor with decoupled charge and spin doping

Na and Cr co-doped BaCd2As2: A hexagonal structured diluted magnetic semiconductor with decoupled charge and spin doping
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Na和Cr共掺杂BaCd2As2:具有解耦电荷和自旋掺杂的六方结构稀磁半导体

DOI:
10.1016/j.jmmm.2021.167754
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发表时间:
2021-01
影响因子:
2.7
通讯作者:
Zhang Zhihua
Zhang Zhihua
中科院分区:
材料科学3区
文献类型:
--
作者:
Su Linlin;Tao Hualong;Wang Lixue;Wang Manfu;Li Li;Cui Yan;Tian Xingjian;He Ming;Song Bo;Zhang Zhihua

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The electronic structures and magnetic properties of Na-doped, Cr-doped and (Na, Cr) co-doped BaCd2As2by using first principle calculations. The pure BaCd2As2shows a non-magnetic semiconductor with a bandgap about 0.5 eV. The Na-doped BaCd2As2is still non-magnetic semiconductor, and the valence band exist a slight upward shift due to the increase of carries by introducing Na dopant. The doping of Cr atom leads to the magnetic generation of the pure BaCd2As2, which mainly comes from the Cr-3d orbitals, but the anti-ferromagnetic state of most systems plays a leading role. And the (Na, Cr) co-doped system with decoupled charge and spin doping prefers ferromagnetic state to be the ground state, and the origin of magnetism can be explained by p-d hybridization, which is due to the coupling interaction between Cr-3d and As-5p.
(Ca,Na)(Zn,Mn)2As2:一种新型自旋和电荷掺杂解耦稀铁磁半导体
DOI: 10.1063/1.4899190
发表时间: 2014-10
影响因子: 3.2
作者:
J. Munevar;G.M. Zhang;Y.J. Uemura;Changqing Jin
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DOI: 10.1016/0042-207x(54)90337-1
发表时间: 1953
期刊: Vacuum
影响因子: 4
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E. C. Critenden;R. Hoffman
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DOI: 10.1103/physrevb.16.1746
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MONKHORST, HJ;PACK, JD
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