Weyl nodes and magnetostructural instability in antiperovskite Mn3ZnC
Abstract
The room temperature ferromagnetic phase of the cubic antiperovskite Mn3ZnC is suggested from first-principles calculation to be a nodal line Weyl semimetal. Features in the electronic structure that are the hallmark of a nodal line Weyl state—a large density of linear band crossings near the Fermi level—can also be interpreted as signatures of a structural and/or magnetic instability. Indeed, it is known that Mn3ZnC undergoes transitions upon cooling from a paramagnetic to a cubic ferromagnetic state under ambient conditions and then further into a noncollinear ferrimagnetic tetragonal phase at a temperature between 250 K and 200 K. The existence of Weyl nodes and their destruction via structural and magnetic ordering are likely to be relevant to a range of magnetostructurally coupled materials.
- Authors:
-
- Univ. of California, Santa Barbara, CA (United States)
- Univ. of California, Santa Barbara, CA (United States); Chalmers Univ. of Technology, Göteborg (Sweden)
- Princeton Univ., NJ (United States)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Org.:
- National Science Foundation (NSF); Princeton Center for Complex Materials, a Materials Research Science and Engineering Center (MRSEC); USDOE Office of Science (SC), Basic Energy Sciences (BES); IRES: Cooperative for Advanced Materials in Energy-Related Applications; Chalmers University of Technology
- OSTI Identifier:
- 1599424
- Grant/Contract Number:
- DMR1710638; DMR 1420541; DMR 1720256; CNS 1725797; AC02-06CH11357; NSF-OISE 1827034; DGE-1650114
- Resource Type:
- Accepted Manuscript
- Journal Name:
- APL Materials
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 12; Journal ID: ISSN 2166-532X
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- ENGLISH
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Teicher, S. M. L., Svenningsson, I. K., Schoop, L. M., and Seshadri, R. Weyl nodes and magnetostructural instability in antiperovskite Mn3ZnC. United States: N. p., 2019.
Web. doi:10.1063/1.5129689.
Teicher, S. M. L., Svenningsson, I. K., Schoop, L. M., & Seshadri, R. Weyl nodes and magnetostructural instability in antiperovskite Mn3ZnC. United States. https://doi.org/10.1063/1.5129689
Teicher, S. M. L., Svenningsson, I. K., Schoop, L. M., and Seshadri, R. Thu .
"Weyl nodes and magnetostructural instability in antiperovskite Mn3ZnC". United States. https://doi.org/10.1063/1.5129689. https://www.osti.gov/servlets/purl/1599424.
@article{osti_1599424,
title = {Weyl nodes and magnetostructural instability in antiperovskite Mn3ZnC},
author = {Teicher, S. M. L. and Svenningsson, I. K. and Schoop, L. M. and Seshadri, R.},
abstractNote = {The room temperature ferromagnetic phase of the cubic antiperovskite Mn3ZnC is suggested from first-principles calculation to be a nodal line Weyl semimetal. Features in the electronic structure that are the hallmark of a nodal line Weyl state—a large density of linear band crossings near the Fermi level—can also be interpreted as signatures of a structural and/or magnetic instability. Indeed, it is known that Mn3ZnC undergoes transitions upon cooling from a paramagnetic to a cubic ferromagnetic state under ambient conditions and then further into a noncollinear ferrimagnetic tetragonal phase at a temperature between 250 K and 200 K. The existence of Weyl nodes and their destruction via structural and magnetic ordering are likely to be relevant to a range of magnetostructurally coupled materials.},
doi = {10.1063/1.5129689},
journal = {APL Materials},
number = 12,
volume = 7,
place = {United States},
year = {2019},
month = {12}
}
Works referenced in this record:
Electronic structure, noncollinear magnetism, and x-ray magnetic circular dichroism in the perovskite
journal, April 2007
- Antonov, V. N.; Harmon, B. N.; Yaresko, A. N.
- Physical Review B, Vol. 75, Issue 16
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
journal, August 2014
- Mostofi, Arash A.; Yates, Jonathan R.; Pizzi, Giovanni
- Computer Physics Communications, Vol. 185, Issue 8
Classification of stable three-dimensional Dirac semimetals with nontrivial topology
journal, September 2014
- Yang, Bohm-Jung; Nagaosa, Naoto
- Nature Communications, Vol. 5, Issue 1
Pressure Effect on the Magnetic Transition Temperatures in the Intermetallic Compounds Mn 3 MC (M=Ga, Zn and Sn)
journal, November 1987
- Kaneko, Takejiro; Kanomata, Takeshi; Shirakawa, Kiwamu
- Journal of the Physical Society of Japan, Vol. 56, Issue 11
Lead palladium titanate: A room temperature nanoscale multiferroic thin film
journal, February 2020
- Mishra, K. K.; Instan, Alvaro A.; Kumari, Shalini
- Scientific Reports, Vol. 10, Issue 1
Field-induced transitions in intermetallic compounds Mn3GaC and Mn3ZnC
journal, December 1987
- Kaneko, T.; Kanomata, T.; Miura, S.
- Journal of Magnetism and Magnetic Materials, Vol. 70, Issue 1-3
Modèle pour la structure électronique des composés perovskites du manganèse
journal, January 1975
- Jardin, J. P.; Labbé, J.
- Journal de Physique, Vol. 36, Issue 12
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
journal, August 1993
- Dronskowski, Richard; Bloechl, Peter E.
- The Journal of Physical Chemistry, Vol. 97, Issue 33
High-resolution X-ray luminescence extension imaging
journal, February 2021
- Ou, Xiangyu; Qin, Xian; Huang, Bolong
- Nature, Vol. 590, Issue 7846
An Information Theory-Inspired Strategy for Design of Re-programmable Encrypted Graphene-based Coding Metasurfaces at Terahertz Frequencies
journal, April 2018
- Momeni, Ali; Rouhi, Kasra; Rajabalipanah, Hamid
- Scientific Reports, Vol. 8, Issue 1
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids
journal, September 2013
- Maintz, Stefan; Deringer, Volker L.; Tchougréeff, Andrei L.
- Journal of Computational Chemistry, Vol. 34, Issue 29
The Magnetocaloric Effect and Magnetic Refrigeration Near Room Temperature: Materials and Models
journal, August 2012
- Franco, V.; Blázquez, J. S.; Ingale, B.
- Annual Review of Materials Research, Vol. 42, Issue 1
Giant negative thermal expansion in antiperovskite manganese nitrides
journal, April 2011
- Hamada, T.; Takenaka, K.
- Journal of Applied Physics, Vol. 109, Issue 7
Structural and Electronic Peierls Distortions in the Elements (B): The Antiferromagnetism of Chromium
journal, January 2002
- Decker, Andrea; Landrum, Gregory A.; Dronskowski, Richard
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 628, Issue 1
Etudes par diffraction neutronique et RMN de ZnMn3C et GaMn3C0.935
journal, October 1973
- Fruchart, D.; Bertaut, E. F.; Le Clerc, B.
- Journal of Solid State Chemistry, Vol. 8, Issue 2
Berry phases in electronic structure theory
journal, October 2018
- Shore, K. Alan
- Contemporary Physics, Vol. 59, Issue 4
THE ELECTRICAL RESISTIVITY OF Mn 3 ZnC BETWEEN 4.2° AND 630° K
journal, October 1961
- Swanson, M. L.; Friedberg, S. A.
- Canadian Journal of Physics, Vol. 39, Issue 10
Fermi surface nesting and the origin of charge density waves in metals
journal, April 2008
- Johannes, M. D.; Mazin, I. I.
- Physical Review B, Vol. 77, Issue 16
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT: Tool to Extract Chemical Bonding
journal, February 2016
- Maintz, Stefan; Deringer, Volker L.; Tchougréeff, Andrei L.
- Journal of Computational Chemistry, Vol. 37, Issue 11
How Chemistry and Physics Meet in the Solid State
journal, September 1987
- Hoffmann, Roald
- Angewandte Chemie International Edition in English, Vol. 26, Issue 9
On the Phase Relations and Structural and Magnetic Properties of the Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3.
journal, January 1991
- Karen, P.; Fjellvåg, H.; Kjekshus, A.
- Acta Chemica Scandinavica, Vol. 45
Chemically Tuning between Ferromagnetism and Antiferromagnetism by Combining Theory and Synthesis in Iron/Manganese Rhodium Borides
journal, July 2002
- Dronskowski, Richard; Korczak, Karol; Lueken, Heiko
- Angewandte Chemie International Edition, Vol. 41, Issue 14
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT
text, January 2016
- Maintz, Stefan; Deringer, Volker Ludwig; Tchougréeff, Andrei L.
- RWTH Aachen University
NEW TYPE OF MAGNETIC TRANSITION IN Mn 3 ZnC
journal, March 1957
- Brockhouse, B. N.; Myers, H. P.
- Canadian Journal of Physics, Vol. 35, Issue 3
Two-dimensional Peierls instability via zone-boundary Dirac line nodes in layered perovskite oxides
journal, May 2019
- Park, Jin-Hong; Lee, Seung Hun; Kim, Choong H.
- Physical Review B, Vol. 99, Issue 19
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020
- Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna
- Scientific Reports, Vol. 10, Issue 1
Fermi-level Dirac crossings in and cubic metal oxides: and
journal, May 2019
- Teicher, Samuel M. L.; Lamontagne, Leo K.; Schoop, Leslie M.
- Physical Review B, Vol. 99, Issue 19
Microstructure control and tensile properties of three-phase alloys based on the E21 Co3AlC and B2 CoAl
journal, December 2001
- Kimura, Yoshisato; Mishima, Yoshinao; Liu, C. T.
- Intermetallics, Vol. 9, Issue 12
Magnetotransport in antiperovskite
journal, September 2018
- Suetsugu, S.; Hayama, K.; Rost, A. W.
- Physical Review B, Vol. 98, Issue 11
Discovery of topological Weyl fermion lines and drumhead surface states in a room temperature magnet
journal, September 2019
- Belopolski, Ilya; Manna, Kaustuv; Sanchez, Daniel S.
- Science, Vol. 365, Issue 6459
WannierTools: An open-source software package for novel topological materials
journal, March 2018
- Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
- Computer Physics Communications, Vol. 224
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021
- Chen, Ruyi; Cui, Qirui; Liao, Liyang
- Nature Communications, Vol. 12, Issue 1
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
journal, June 2011
- Deringer, Volker L.; Tchougréeff, Andrei L.; Dronskowski, Richard
- The Journal of Physical Chemistry A, Vol. 115, Issue 21
Electronic band structures and magnetism of the cubic perovskite-type manganese compounds Mn 3 MC (M=Zn,Ga,In,Sn)
journal, October 1988
- Motizuki, K.; Nagai, H.
- Journal of Physics C: Solid State Physics, Vol. 21, Issue 30
The physics of the non-oxide perovskite superconductor MgCNi 3
journal, October 2004
- Mollah, S.
- Journal of Physics: Condensed Matter, Vol. 16, Issue 43
XVII. The structure and properties of some ternary alloys of manganese, zinc and carbon
journal, February 1955
- Butters, R. G.; Myers, H. P.
- The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 46, Issue 373
Giant magnetoresistance in the intermetallic compound
journal, December 2000
- Kamishima, K.; Goto, T.; Nakagawa, H.
- Physical Review B, Vol. 63, Issue 2
Lattice, magnetic and transport properties in antiperovskite compounds
journal, October 2009
- Wen, Yongchun; Wang, Cong; Sun, Ying
- Solid State Communications, Vol. 149, Issue 37-38
Highly convergent schemes for the calculation of bulk and surface Green functions
journal, April 1985
- Sancho, M. P. Lopez; Sancho, J. M. Lopez; Sancho, J. M. L.
- Journal of Physics F: Metal Physics, Vol. 15, Issue 4
Superconductivity in the antiperovskite Dirac-metal oxide Sr3−xSnO
journal, December 2016
- Oudah, Mohamed; Ikeda, Atsutoshi; Hausmann, Jan Niklas
- Nature Communications, Vol. 7, Issue 1
Superconductivity in the non-oxide perovskite MgCNi3
journal, May 2001
- He, T.; Huang, Q.; Ramirez, A. P.
- Nature, Vol. 411, Issue 6833
WannierTools: An open-source software package for novel topological materials
text, January 2018
- Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
- Elsevier
The electronic properties of graphene
text, January 2007
- Neto, A. H. Castro; Guinea, F.; Peres, N. M. R.
- arXiv
Low-Energy Effective Hamiltonian and the Surface States of Ca_3PbO
text, January 2012
- Kariyado, Toshikaze; Ogata, Masao
- arXiv
Unfolding spinor wavefunctions and expectation values of general operators: Introducing the unfolding-density operator
text, January 2014
- Medeiros, Paulo V. C.; Tsirkin, Stepan S.; Stafström, Sven
- arXiv
Superconductivity in the antiperovskite Dirac-metal oxide Sr$_3$SnO
text, January 2016
- Oudah, Mohamed; Ikeda, Atsutoshi; Hausmann, Jan Niklas
- arXiv
WannierTools: An open-source software package for novel topological materials
text, January 2017
- Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
- arXiv
Weyl and Dirac Semimetals in Three Dimensional Solids
text, January 2017
- Armitage, N. P.; Mele, E. J.; Vishwanath, Ashvin
- arXiv
Survey of the class of isovalent antiperovskite alkaline earth-pnictide compounds
text, January 2017
- Goh, Wen Fong; Pickett, Warren E.
- arXiv
Magnetoentropic signatures of skyrmionic phase behavior in FeGe
text, January 2018
- Bocarsly, Joshua D.; Need, Ryan F.; Seshadri, Ram
- arXiv
Two-dimensional Peierls instability via zone boundary Dirac line nodes in layered perovskite oxides
text, January 2018
- Park, Jin-Hong; Lee, Seung Hun; Kim, Choong H.
- arXiv
Superconductivity in the non-oxide Perovskite MgCNi3
text, January 2001
- He, T.; Huang, Q.; Ramirez, A. P.
- arXiv