skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn)

Abstract

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 Co2TiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, in the absence of spin-orbit coupling, Co2TiX 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 Co2TiX compounds at high temperature.

Authors:
 [1];  [2];  [2];  [1];  [1];  [2];  [2];  [2];  [2];  [2];  [1];  [2]
  1. National Univ. of Singapore (Singapore)
  2. Princeton Univ., Princeton, NJ (United States)
Publication Date:
Research Org.:
Princeton Univ., NJ (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1361395
Grant/Contract Number:  
FG02-05ER46200
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; 36 MATERIALS SCIENCE; electronic properties and materials; topological insulators

Citation Formats

Chang, Guoqing, Xu, Su -Yang, Zheng, Hao, Singh, Bahadur, Hsu, Chuang -Han, Bian, Guang, Alidoust, Nasser, Belopolski, Ilya, Sanchez, Daniel S., Zhang, Songtian, Lin, Hsin, and Hasan, M. Zahid. Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn). United States: N. p., 2016. Web. doi:10.1038/srep38839.
Chang, Guoqing, Xu, Su -Yang, Zheng, Hao, Singh, Bahadur, Hsu, Chuang -Han, Bian, Guang, Alidoust, Nasser, Belopolski, Ilya, Sanchez, Daniel S., Zhang, Songtian, Lin, Hsin, & Hasan, M. Zahid. Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn). United States. https://doi.org/10.1038/srep38839
Chang, Guoqing, Xu, Su -Yang, Zheng, Hao, Singh, Bahadur, Hsu, Chuang -Han, Bian, Guang, Alidoust, Nasser, Belopolski, Ilya, Sanchez, Daniel S., Zhang, Songtian, Lin, Hsin, and Hasan, M. Zahid. 2016. "Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn)". United States. https://doi.org/10.1038/srep38839. https://www.osti.gov/servlets/purl/1361395.
@article{osti_1361395,
title = {Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn)},
author = {Chang, Guoqing and Xu, Su -Yang and Zheng, Hao and Singh, Bahadur and Hsu, Chuang -Han and Bian, Guang and Alidoust, Nasser and Belopolski, Ilya and Sanchez, Daniel S. and Zhang, Songtian and Lin, Hsin and Hasan, M. Zahid},
abstractNote = {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 Co2TiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, in the absence of spin-orbit coupling, Co2TiX 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 Co2TiX compounds at high temperature.},
doi = {10.1038/srep38839},
url = {https://www.osti.gov/biblio/1361395}, journal = {Scientific Reports},
issn = {2045-2322},
number = 1,
volume = 6,
place = {United States},
year = {Thu Dec 15 00:00:00 EST 2016},
month = {Thu Dec 15 00:00:00 EST 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 134 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Magneto-optical properties of metallic ferromagnetic materials
journal, August 1983


Mott physics and band topology in materials with strong spin–orbit interaction
journal, March 2010


Anomalous transport properties of the half-metallic ferromagnets Co 2 TiSi, Co 2 TiGe and Co 2 TiSn
journal, September 2011

  • Barth, Joachim; Fecher, Gerhard H.; Balke, Benjamin
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 369, Issue 1951
  • https://doi.org/10.1098/rsta.2011.0183

Observation of Fermi arc surface states in a topological metal
journal, December 2014


Discovery of a Weyl fermion state with Fermi arcs in niobium arsenide
journal, August 2015


Signatures of the Adler–Bell–Jackiw chiral anomaly in a Weyl fermion semimetal
journal, February 2016


Experimental discovery of a topological Weyl semimetal state in TaP
journal, November 2015


Magnetic and half-metallic properties of the full-Heusler alloys Co2TiX(X=Al,Ga;Si,Ge,Sn;Sb)
journal, May 2005


Preserving the Half-Metallicity at the Heusler Alloy C o 2 M n S i ( 001 ) Surface: A Density Functional Theory Study
journal, March 2005


Observation of Weyl nodes in TaAs
journal, August 2015


Band theory of Co 2 MnSn, Co 2 TiSn and Co 2 TiAl
journal, June 1982


Weyl Mott Insulator
journal, January 2016


Magnetic properties and magneto-optical spectroscopy of Heusler alloys based on transition metals and Sn
journal, January 1983


Topological nodal-line fermions in spin-orbit metal PbTaSe2
journal, February 2016


Inhomogeneous Electron Gas
journal, November 1964


Discovery of a Weyl fermion semimetal and topological Fermi arcs
journal, July 2015


The Adler-Bell-Jackiw anomaly and Weyl fermions in a crystal
journal, November 1983


Direct observation of half-metallicity in the Heusler compound Co2MnSi
journal, May 2014


A new form of Ca 3 P 2 with a ring of Dirac nodes
journal, August 2015


A Weyl Fermion semimetal with surface Fermi arcs in the transition metal monopnictide TaAs class
journal, June 2015


Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates
journal, May 2011


Topological nodal semimetals
journal, December 2011


Topological nodal line semimetals with and without spin-orbital coupling
journal, August 2015


Topological response in Weyl semimetals and the chiral anomaly
journal, September 2012


Criteria for Directly Detecting Topological Fermi Arcs in Weyl Semimetals
journal, February 2016


Topological Node-Line Semimetal and Dirac Semimetal State in Antiperovskite Cu 3 PdN
journal, July 2015


Drumhead surface states and topological nodal-line fermions in TlTaSe 2
journal, March 2016


Chern Semimetal and the Quantized Anomalous Hall Effect in HgCr 2 Se 4
journal, October 2011


Anomalous Hall Effect in Weyl Metals
journal, October 2014


Tailoring the electronic structure of half-metallic Heusler alloys
journal, October 2009


Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds
journal, March 2007


Slater-Pauling behavior and origin of the half-metallicity of the full-Heusler alloys
journal, November 2002


Magnetic and chemical order in Heusler alloys containing cobalt and titanium
journal, October 1973


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Generalized Gradient Approximation Made Simple
journal, October 1996


Maximally localized generalized Wannier functions for composite energy bands
journal, November 1997


Discovery of a Weyl Fermion Semimetal and Topological Fermi Arcs
text, January 2015


Observation of Weyl nodes in TaAs
text, January 2015


Experimental discovery of a topological Weyl semimetal state in TaP
text, January 2015


Works referencing / citing this record:

Real-time evolution and quantized charge pumping in magnetic Weyl semimetals
journal, October 2019


Giant anomalous Hall effect in a ferromagnetic kagome-lattice semimetal
journal, July 2018


Electric-Field Control of Magnetic Order: From FeRh to Topological Antiferromagnetic Spintronics
journal, November 2018


Quasiparticle interference on type-I and type-II Weyl semimetal surfaces: a review
journal, January 2018


Quantum transport in topological semimetals under magnetic fields (II)
journal, April 2019


Multifold nodal points in magnetic materials
journal, October 2019


Robust topological nodal lines in halide carbides
journal, January 2019


Anomalous Nernst effect beyond the magnetization scaling relation in the ferromagnetic Heusler compound Co2MnGa
journal, April 2019


Critical behavior in the half-metallic Heusler alloy Co 2 TiSn
journal, December 2019


Three-dimensional Majorana fermions in chiral superconductors
journal, December 2016


Hydrodynamics of Fermi arcs: Bulk flow and surface collective modes
journal, April 2019


Large anomalous Nernst effect in thin films of the Weyl semimetal Co 2 MnGa
journal, November 2018


Ideal type-II Weyl phonons in wurtzite CuI
journal, August 2019


Anomalous Hall effect and the role of Berry curvature in Co 2 TiSn Heusler films
journal, August 2019


The study of magnetic topological semimetals by first principles calculations
journal, October 2019


Structural-order dependence of anomalous Hall effect in Co 2 MnGa topological semimetal thin films
journal, December 2019


Towards properties on demand in quantum materials
journal, October 2017


Weyl-loop half-metal in Li 3 ( FeO 3 ) 2
journal, February 2019


Topological phases in a Weyl semimetal multilayer
journal, April 2017


Magnetic quantum phase transitions in a clean Dirac metal
journal, November 2019


Zero‐Field Nernst Effect in a Ferromagnetic Kagome‐Lattice Weyl‐Semimetal Co 3 Sn 2 S 2
journal, April 2019


Collective excitations in Weyl semimetals in the hydrodynamic regime
journal, June 2018


Heusler, Weyl and Berry
journal, July 2018


Three-Dimensional Majorana Fermions in Chiral Superconductors
text, January 2016


Weyl and Dirac Semimetals in Three Dimensional Solids
text, January 2017


Multifold nodal points in magnetic materials
text, January 2019