CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Half-metallic ferromagnetic Weyl fermions related to dynamic correlations in the zinc-blende compound Vas |
Xianyong Ding(丁献勇)1,2, Haoran Wei(魏皓然)1,2, Ruixiang Zhu(朱瑞翔)1,2, Xiaoliang Xiao(肖晓亮)1,2, Xiaozhi Wu(吴小志)1,2, and Rui Wang(王锐)1,2,† |
1 Institute for Structure and Function & Department of Physics & Chongqing Key Laboratory for Strongly Coupled Physics, Chongqing University, Chongqing 400044, China; 2 Center of Quantum Materials and Devices, Chongqing University, Chongqing 400044, China |
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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.
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Received: 15 May 2024
Revised: 03 July 2024
Accepted manuscript online: 05 July 2024
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PACS:
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71.55.Ak
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(Metals, semimetals, and alloys)
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71.15.Dx
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(Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction))
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75.50.Gg
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(Ferrimagnetics)
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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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Cite this article:
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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[1] De Groot R, Mueller F, van Engen P V and Buschow K 1983 Phys. Rev. Lett. 50 2024 [2] De Groot R, Mueller F, Van Engen P and Buschow K 1984 J. Appl. Phys. 55 2151 [3] De Groot R and Buschow K 1986 J. Magn. Magn. Mater. 54 1377 [4] Benmakhlouf A, Bourourou Y, Bouhemadou A, Bentabet A, Khemloul F, Maabed S, Bouchenafa M and Galanakis I 2018 J. Magn. Magn. Mater. 465 430 [5] Ş aşioglu E, Galanakis I, Sandratskii L M and Bruno P 2005 J. Phys. Condens. Matter. 17 3915 [6] Irkhin V Y and Katsnel’son M I 1994 Phys. Usp. 37 659 [7] Žutić I, Fabian J and Das Sarma S 2004 Rev. Mod. Phys. 76 323 [8] Chappert C, Fert A and Van Dau F N 2007 Nat. Mater. 6 813 [9] Soulen Jr R, Byers J, Osofsky M, Nadgorny B, Ambrose T, Cheng S, Broussard P R, Tanaka C, Nowak J, Moodera J, et al. 1998 Science 282 85 [10] Korotin M, Anisimov V, Khomskii D and Sawatzky G 1998 Phys. Rev. Lett. 80 4305 [11] Yanase A and Siratori K 1984 J. Phys. Soc. Jpn. 53 312 [12] Galanakis I, Dederichs P and Papanikolaou N 2002 Phys. Rev. B 66 134428 [13] Galanakis I, Dederichs P and Papanikolaou N 2002 Phys. Rev. B 66 174429 [14] Galanakis I 2004 J. Phys. Condens. Matter. 16 3089 [15] Shreder E, Streltsov S, Svyazhin A, Makhnev A, Marchenkov V, Lukoyanov A and Weber H 2008 J. Phys. Condens. Matter. 20 045212 [16] Fomina K, Marchenkov V, Shreder E and Weber H 2011 Solid State Phenom. 168 545 [17] Shreder E, Makhnev A, Lukoyanov A and Suresh K 2017 Phys. Met. Metallogr. 118 965 [18] Lidig C, Minár J, Braun J, Ebert H, Gloskovskii A, Krieger J A, Strocov V, Kläui M and Jourdan M 2019 Phys. Rev. B 99 174432 [19] Jourdan M, Minár J, Braun J, Kronenberg A, Chadov S, Balke B, Gloskovskii A, Kolbe M, Elmers H J, Schönhense G, et al. 2014 Nat. Commun. 5 3974 [20] Akai H 1998 Phys. Rev. Lett. 81 3002 [21] Sandratskii L and Bruno P 2002 Phys. Rev. B 66 134435 [22] Wang X L 2008 Phys. Rev. Lett. 100 156404 [23] Ouardi S, Fecher G H, Felser C and Kübler J 2013 Phys. Rev. Lett. 110 100401 [24] Manna K, Sun Y, Muechler L, Kubler J and Felser C 2018 Nat. Rev. Mater. 3 244 [25] Wang X L 2017 Natl. Sci. Rev. 4 252 [26] Cheng X, Xu S, Jia F, Zhao G, Hu M, Wu W and Ren W 2021 Phys. Rev. B 104 104417 [27] Mogulkoc A, Modarresi M and Rudenko A N 2020 Phys. Rev. B 102 024441 [28] Hedin L 1965 Phys. Rev. 139 A796 [29] Damewood L and Fong C Y 2011 Phys. Rev. B 83 113102 [30] Gao R, Liu C, Fang L, Yao B, Wu W, Xiao Q, Hu S, Liu Y, Gao H, Cao S, et al. 2022 Chin. Phys. Lett. 39 127301 [31] Xiang W, Wang Y, Ji W, Hou W, Li S and Wang P 2023 Chin. Phys. B 32 037103 [32] Galanakis I and Mavropoulos P 2003 Phys. Rev. B 67 104417 [33] Akinaga H, Manago T and Shirai M 2000 Jpn. J. Appl. Phys. 39 L1118 [34] Shirai M 2003 J. Appl. Phys. 93 6844 [35] Dong X, Jia X, Yan Z, Shen X, Li Z, Qiao Z and Xu X 2023 Chin. Phys. Lett. 40 087301 [36] Sanyal B, Bergqvist L and Eriksson O 2003 Phys. Rev. B 68 054417 [37] Chioncel L, Mavropoulos P, Ležaić M, Blügel S, Arrigoni E, Katsnelson M I and Lichtenstein A I 2006 Phys. Rev. Lett. 96 197203 [38] Wan X, Turner A M, Vishwanath A and Savrasov S Y 2011 Phys. Rev. B 83 205101 [39] Xu G, Weng H, Wang Z, Dai X and Fang Z 2011 Phys. Rev. Lett. 107 186806 [40] Lv B, Weng H, Fu B, Wang X P, Miao H, Ma J, Richard P, Huang X, Zhao L, Chen G, et al. 2015 Phys. Rev. X 5 031013 [41] Lu L, Wang Z, Ye D, Ran L, Fu L, Joannopoulos J D and Soljačić M 2015 Science 349 622 [42] Xu S Y, Alidoust N, Belopolski I, Yuan Z, Bian G, Chang T R, Zheng H, Strocov V N, Sanchez D S, Chang G, et al. 2015 Nat. Phys. 11 748 [43] Borisenko S, Evtushinsky D, Gibson Q, Yaresko A, Koepernik K, Kim T, Ali M, van den Brink J, Hoesch M, Fedorov A, et al. 2019 Nat. Commun. 10 3424 [44] Weng H, Fang C, Fang Z, Bernevig B A and Dai X 2015 Phys. Rev. X 5 011029 [45] Wang Z, Vergniory M, Kushwaha S, Hirschberger M, Chulkov E, Ernst A, Ong N P, Cava R J and Bernevig B A 2016 Phys. Rev. Lett. 117 236401 [46] Nie S, Hashimoto T and Prinz F B 2022 Phys. Rev. Lett. 128 176401 [47] Marzari N, Mostofi A A, Yates J R, Souza I and Vanderbilt D 2012 Rev. Mod. Phys. 84 1419 [48] Mostofi A A, Yates J R, Pizzi G, Lee Y S, Souza I, Vanderbilt D and Marzari N 2014 Comput. Phys. Commun. 185 2309 [49] See supplementary material for the theoretical background of DFT + DMFT methods, the calculations details, list of the positions of WPs, topological surface states and Fermi arcs, etc., which include Refs. [47,48,54-65]. [50] Gull E, Millis A J, Lichtenstein A I, Rubtsov A N, Troyer M and Werner P 2011 Rev. Mod. Phys. 83 349 [51] Haule K 2007 Phys. Rev. B 75 155113 [52] Yu R, Wu Q, Fang Z and Weng H 2017 Phys. Rev. Lett. 119 036401 [53] Sancho M P L, Sancho J M L and Rubio J 1984 J. Phys. F: Met. Phys. 14 1205 [54] Singh V, Herath U, Wah B, Liao X, Romero A H and Park H 2021 Comput. Phys. Commun. 261 107778 [55] Savrasov S Y and Kotliar G 2004 Phys. Rev. B 69 245101 [56] Kotliar G, Savrasov S Y, Haule K, Oudovenko V S, Parcollet O and Marianetti C A 2006 Rev. Mod. Phys. 78 865 [57] Jarrell M 1992 Phys. Rev. Lett. 69 168 [58] Shinaoka H, Assaad F, Blümer N and Werner P 2017 Eur. Phys. J. Spec. Top. 226 2499 [59] Kohn W and Luttinger J M 1960 Phys. Rev. 118 41 [60] Luttinger J M and Ward J C 1960 Phys. Rev. 118 1417 [61] Luttinger J M 1961 Phys. Rev. 121 942 [62] Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169 [63] Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15 [64] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865 [65] Li W, Carrete J, Katcho N A and Mingo N 2014 Comput. Phys. Commun. 185 1747 |
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