Electronic structure and topology across Tc in the magnetic Weyl semimetal Co3Sn2S2

Rossi, Antonio; Ivanov, Vsevolod; Sreedhar, Sudheer; Gross, Adam L.; Shen, Zihao; Rotenberg, Eli; Bostwick, Aaron; Jozwiak, Chris; Taufour, Valentin; Savrasov, Sergey Y.; Vishik, Inna M.

doi:10.1103/physrevb.104.155115

Electronic structure and topology across Tc in the magnetic Weyl semimetal Co3 Sn2 S2

Journal Article · Mon Oct 11 00:00:00 EDT 2021 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.104.155115· OSTI ID:1901537

Rossi, Antonio ^[1]; ^[2]; Sreedhar, Sudheer ^[2]; ^[2]; Shen, Zihao ^[2]; Rotenberg, Eli ^[3]; Bostwick, Aaron ^[3]; Jozwiak, Chris ^[3]; ^[2]; Savrasov, Sergey Y. ^[2]; Vishik, Inna M. ^[2]

Univ. of California, Davis, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Univ. of California, Davis, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

Co₃Sn₂S₂ is a magnetic Weyl semimetal, in which ferromagnetic ordering at 177 K is predicted to stabilize Weyl points. We perform temperature and spatial dependent angle--resolved photoemission spectroscopy measurements through the Curie temperature (T_c), which show large band shifts and renormalization concomitant with the onset of magnetism. We argue that Co₃Sn₂S₂ evolves from a Mott ferromagnet below T_c to a correlated metallic state above T_c. To understand the magnetism, we derive a tight-binding model of Co-3d_x²-y² orbitals on the kagome lattice. At the filling obtained by first-principles calculations, this model reproduces the ferromagnetic ground state, and results in the reduction of Coulomb interactions due to cluster effects. Using a disordered local moment simulation, we show how this reduced Hubbard U leads to a collapse of the bands across the magnetic transition, resulting in a correlated state which carries associated characteristic photoemission signatures that are distinct from those of a simple lifting of exchange splitting. Finally, the behavior of topology across T_c is discussed in the context of this description of the magnetism.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Alfred P. Sloan Foundation; National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1901537

Alternate ID(s):: OSTI ID: 1828623

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 15 Vol. 104; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Related Subjects

59 BASIC BIOLOGICAL SCIENCES
Kagome lattice
Wannier function methods
Weyl fermions
Weyl semimetal
angle-resolved photoemission spectroscopy
coherent potential approximation
density functional theory
half-metals
magnetic phase transitions
symmetry protected topological states
tight-binding model

Electronic structure and topology across Tc in the magnetic Weyl semimetal Co3 Sn2 S2

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