Topology analysis for anomalous Hall effect in the noncollinear antiferromagnetic states of Mn3AN (A = Ni, Cu, Zn, Ga, Ge, Pd, In, Sn, Ir, Pt)

被引:55
作者
Huyen, Vu Thi Ngoc [1 ,2 ,3 ]
Suzuki, Michi-To [4 ]
Yamauchi, Kunihiko [1 ]
Oguchi, Tamio [1 ,2 ]
机构
[1] Osaka Univ, Inst Sci & Ind Res, 8-1 Mihogaoka, Ibaraki, Osaka 5670047, Japan
[2] Natl Inst Mat Sci, Res & Serv Div Mat Data & Integrated Syst, 1-2-1 Sengen, Tsukuba, Ibaraki 3050047, Japan
[3] Osaka Univ, Grad Sch Engn Sci, Toyonaka, Osaka 5608531, Japan
[4] Tohoku Univ, Ctr Computat Mat Sci, Inst Mat Res, Sendai, Miyagi 9808577, Japan
基金
日本科学技术振兴机构;
关键词
PSEUDOPOTENTIALS;
D O I
10.1103/PhysRevB.100.094426
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We investigate topological features of electronic structures which produce large anomalous Hall effect in the noncollinear antiferromagnetic metallic states of antiperovskite manganese nitrides by first-principles calculations. We first predict the stable magnetic structures of these compounds to be noncollinear antiferromagnetic structures characterized by either T-1g or T-2g irreducible representation by evaluating the total energy for all of the magnetic structures classified according to the symmetry and multipole moments. The topology analysis is next performed for the Wannier tight-binding models obtained from the first-principles band structures. Our results reveal the small Berry curvature induced through the coupling between occupied and unoccupied states with the spin-orbit coupling, which is widely spread around the Fermi surface in the Brillouin zone, dominantly contributes after the k-space integration to the anomalous Hall conductivity, while the local divergent Berry curvature around Weyl points has a rather small contribution to the anomalous Hall conductivity.
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页数:9
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