Half-metallic ferromagnetic Weyl fermions related to dynamic correlations in the zinc-blende compound Vas

doi:10.1088/1674-1056/ad5f86

Abstract The realization of 100% polarized topological Weyl fermions in half-metallic ferromagnets is of particular importance for fundamental research and spintronic applications. Here, we theoretically investigate the electronic and topological properties of the zinc-blende compound VAs, which was deemed as a half-metallic ferromagnet related to dynamic correlations. Based on the combination of density functional theory and dynamical mean field theory, we uncover that the half-metallic ferromagnet VAs exhibits attractive Weyl semimetallic behaviors which are very close to the Fermi level in the ${\rm DFT} + U$ regime with effect $U$ values ranging from 1.5 eV to 2.5 eV. Meanwhile, we also investigate the magnetization-dependent topological properties; the results show that the change of magnetization directions only slightly affects the positions of Weyl points, which is attributed to the weak spin-orbital coupling effects. The topological surface states of VAs projected on semi-infinite (001) and (111) surfaces are investigated. The Fermi arcs of all Weyl points are clearly visible on the projected Fermi surfaces. Our findings suggest that VAs is a fully spin-polarized Weyl semimetal with many-body correlated effects in the effective $U$ values range from 1.5 eV to 2.5 eV.

Keywords: density functional theory Weyl semimetal dynamical mean field theory half metallic ferromagnet

Received: 15 May 2024
Revised: 03 July 2024
Accepted manuscript online: 05 July 2024

PACS:	71.55.Ak	(Metals, semimetals, and alloys)
	71.15.Dx	(Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction))
	75.50.Gg	(Ferrimagnetics)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 12204074, 12222402, 92365101,and 12347101) and the Natural Science Foundation of Chongging (Grant No. CSTB2023NSCQ-JQX0024).

Corresponding Authors: Rui Wang
E-mail: rcwang@cqu.edu.cn

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Xianyong Ding(丁献勇), Haoran Wei(魏皓然), Ruixiang Zhu(朱瑞翔), Xiaoliang Xiao(肖晓亮), Xiaozhi Wu(吴小志), and Rui Wang(王锐) Half-metallic ferromagnetic Weyl fermions related to dynamic correlations in the zinc-blende compound Vas 2024 Chin. Phys. B 33 097103

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Half-metallic ferromagnetic Weyl fermions related to dynamic correlations in the zinc-blende compound Vas

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