and : Filling-enforced magnetic topological metals
Abstract
Magnetism, coupled with nontrivial band topology, can bring about many interesting and exotic phenomena, so that magnetic topological materials have attracted persistent research interest. However, compared with nonmagnetic topological materials (TMs), the magnetic TMs are less studied, since their magnetic structures and topological phase transitions are usually complex and the first-principles predictions are usually sensitive on the effect of Coulomb interaction. Here we present a comprehensive investigation of XFe4Ge2 (X = Y, Lu) and Mn3Pt, and find these materials to be filling-enforced magnetic topological metals. Our first-principles calculations show that XFe4Ge2 (X = Y, Lu) host Dirac points near the Fermi level at high symmetry point S. These Dirac points are protected by $$\text{P}\mathcal{T}$$ symmetry ($$\text{P}$$ and $$\mathcal{T}$$ are inversion and time-reversal transformations, respectively) and a twofold screw rotation symmetry. Moreover, through breaking $$\text{P}\mathcal{T}$$ symmetry, the Dirac points would split into Weyl nodes. Mn3Pt is found to host fourfold degenerate band crossings in the whole high symmetry path of A – Z . We also utilize the GGA + U scheme to take into account the effect of Coulomb repulsion and find that the filling-enforced topological properties are naturally insensitive on U .
- Authors:
-
[1]
- Nanjing Univ. (China)
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Harvard Univ., Cambridge, MA (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for the Advancement of Topological Semimetals (CATS); Iowa State Univ., Ames, IA (United States); Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); National Key Research and Development Program of China; Tencent Foundation; Croucher Foundation
- OSTI Identifier:
- 1767745
- Alternate Identifier(s):
- OSTI ID: 1604513
- Grant/Contract Number:
- AC02-07CH11358; 11834006; 11525417; 51721001; 11790311; 2018YFA0305704; 2017YFA0303203
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 101; Journal Issue: 11; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; optics; charge transport; magnetism and spin physics; materials and chemistry by design; synthesis (novel materials); synthesis (predictive)
Citation Formats
Wang, Di, Tang, Feng, Po, Hoi Chun, Vishwanath, Ashvin, and Wan, Xiangang. XFe4Ge2(X=Y,Lu) and Mn3Pt : Filling-enforced magnetic topological metals. United States: N. p., 2020.
Web. doi:10.1103/PhysRevB.101.115122.
Wang, Di, Tang, Feng, Po, Hoi Chun, Vishwanath, Ashvin, & Wan, Xiangang. XFe4Ge2(X=Y,Lu) and Mn3Pt : Filling-enforced magnetic topological metals. United States. https://doi.org/10.1103/PhysRevB.101.115122
Wang, Di, Tang, Feng, Po, Hoi Chun, Vishwanath, Ashvin, and Wan, Xiangang. Fri .
"XFe4Ge2(X=Y,Lu) and Mn3Pt : Filling-enforced magnetic topological metals". United States. https://doi.org/10.1103/PhysRevB.101.115122. https://www.osti.gov/servlets/purl/1767745.
@article{osti_1767745,
title = {XFe4Ge2(X=Y,Lu) and Mn3Pt : Filling-enforced magnetic topological metals},
author = {Wang, Di and Tang, Feng and Po, Hoi Chun and Vishwanath, Ashvin and Wan, Xiangang},
abstractNote = {Magnetism, coupled with nontrivial band topology, can bring about many interesting and exotic phenomena, so that magnetic topological materials have attracted persistent research interest. However, compared with nonmagnetic topological materials (TMs), the magnetic TMs are less studied, since their magnetic structures and topological phase transitions are usually complex and the first-principles predictions are usually sensitive on the effect of Coulomb interaction. Here we present a comprehensive investigation of XFe4Ge2 (X = Y, Lu) and Mn3Pt, and find these materials to be filling-enforced magnetic topological metals. Our first-principles calculations show that XFe4Ge2 (X = Y, Lu) host Dirac points near the Fermi level at high symmetry point S. These Dirac points are protected by $\text{P}\mathcal{T}$ symmetry ($\text{P}$ and $\mathcal{T}$ are inversion and time-reversal transformations, respectively) and a twofold screw rotation symmetry. Moreover, through breaking $\text{P}\mathcal{T}$ symmetry, the Dirac points would split into Weyl nodes. Mn3Pt is found to host fourfold degenerate band crossings in the whole high symmetry path of A – Z . We also utilize the GGA + U scheme to take into account the effect of Coulomb repulsion and find that the filling-enforced topological properties are naturally insensitive on U .},
doi = {10.1103/PhysRevB.101.115122},
journal = {Physical Review B},
number = 11,
volume = 101,
place = {United States},
year = {Fri Mar 13 00:00:00 EDT 2020},
month = {Fri Mar 13 00:00:00 EDT 2020}
}
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