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Title: Prediction of TiRhAs as a Dirac nodal line semimetal via first-principles calculations

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1414862
Grant/Contract Number:
AC02-05CH11231; SC0012575
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 23; Related Information: CHORUS Timestamp: 2017-12-26 10:42:05; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Weber, Sophie F., Chen, Ru, Yan, Qimin, and Neaton, Jeffrey B. Prediction of TiRhAs as a Dirac nodal line semimetal via first-principles calculations. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.96.235145.
Weber, Sophie F., Chen, Ru, Yan, Qimin, & Neaton, Jeffrey B. Prediction of TiRhAs as a Dirac nodal line semimetal via first-principles calculations. United States. doi:10.1103/PhysRevB.96.235145.
Weber, Sophie F., Chen, Ru, Yan, Qimin, and Neaton, Jeffrey B. Tue . "Prediction of TiRhAs as a Dirac nodal line semimetal via first-principles calculations". United States. doi:10.1103/PhysRevB.96.235145.
@article{osti_1414862,
title = {Prediction of TiRhAs as a Dirac nodal line semimetal via first-principles calculations},
author = {Weber, Sophie F. and Chen, Ru and Yan, Qimin and Neaton, Jeffrey B.},
abstractNote = {},
doi = {10.1103/PhysRevB.96.235145},
journal = {Physical Review B},
number = 23,
volume = 96,
place = {United States},
year = {Tue Dec 26 00:00:00 EST 2017},
month = {Tue Dec 26 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on December 26, 2018
Publisher's Accepted Manuscript

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  • Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered in TaAs, its magnetic counterparts, i.e., the time-reversal breaking Weyl and nodal line semimetals, remain elusive. They are predicted to exhibit exotic properties distinct from the inversion breaking TSMs including TaAs. In this paper, we identify the magnetic topological semimetal states in the ferromagnetic half-metal compounds Co 2TiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that,more » in the absence of spin-orbit coupling, Co 2TiX features three topological nodal lines. The inclusion of spin-orbit coupling gives rise to Weyl nodes, whose momentum space locations can be controlled as a function of the magnetization direction. Lastly, our results not only open the door for the experimental realization of topological semimetal states in magnetic materials at room temperature, but also suggest potential applications such as unusual anomalous Hall effect in engineered monolayers of the Co 2TiX compounds at high temperature.« less
  • Cited by 2
  • Cited by 2
  • Topological nodal semimetal (TNS), characterized by its touching conduction and valence bands, is a newly discovered state of quantum matter which exhibits various exotic physical phenomena. Recently, a new type of TNS called topological nodal line semimetal (TNLS) is predicted where its conduction and valence band form a degenerate one-dimension line which is further protected by its crystal symmetry. In this work, we systematically investigated the bulk and surface electronic structure of the non-symmorphic, TNLS in InBi (which is also a type II Dirac semimetal) with strong spin–orbit coupling by using angle resolved photoemission spectroscopy. By tracking the crossing points of the bulk bands at the Brillouin zone boundary, we discovered the nodal-line feature along themore » $${{k}}_{{z}}$$ direction, in agreement with the ab initio calculations and confirmed it to be a new compound in the TNLS family. Our discovery provides a new material platform for the study of these exotic topological quantum phases and paves the way for possible future applications.« less