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

Title: Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe 3

Abstract

We have investigated the crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe 3 on single-crystal and polycrystalline materials. Furthermore, the crystal structure contains layers made up of lozenge-shaped Cr 4 tetramers. Electrical resistivity measurements show the crystals to be semiconducting, with a temperature dependence consistent with a band gap of 0.3 eV. The magnetic susceptibility exhibits a broad maximum near 300 K characteristic of low dimensional magnetic systems. Weak anomalies are observed in the susceptibility and heat capacity near 55 K, and single-crystal neutron diffraction reveals the onset of long-range antiferromagnetic order at this temperature. Strongly dispersive spin waves are observed in the ordered state. Significant magnetoelastic coupling is indicated by the anomalous temperature dependence of the lattice parameters and is evident in structural optimization in van der Waals density functional theory calculations for different magnetic configurations. The cleavability of the compound is apparent from its handling and is confirmed by first-principles calculations, which predict a cleavage energy 0.5 J / m 2 , similar to graphite. Based on our results, CrTe 3 is identified as a promising compound for studies of low dimensional magnetism in bulk crystals as well as magnetic order inmore » monolayer materials and van der Waals heterostructures.« less

Authors:
 [1];  [2];  [1];  [1];  [1];  [2];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1352782
Alternate Identifier(s):
OSTI ID: 1351674
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 14; 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

Citation Formats

McGuire, Michael A., Garlea, V. Ovidiu, KC, Santosh, Cooper, Valentino R., Yan, Jiaqiang, Cao, Huibo, and Sales, Brian C. Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe3. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.144421.
McGuire, Michael A., Garlea, V. Ovidiu, KC, Santosh, Cooper, Valentino R., Yan, Jiaqiang, Cao, Huibo, & Sales, Brian C. Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe3. United States. doi:10.1103/PhysRevB.95.144421.
McGuire, Michael A., Garlea, V. Ovidiu, KC, Santosh, Cooper, Valentino R., Yan, Jiaqiang, Cao, Huibo, and Sales, Brian C. Fri . "Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe3". United States. doi:10.1103/PhysRevB.95.144421. https://www.osti.gov/servlets/purl/1352782.
@article{osti_1352782,
title = {Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe3},
author = {McGuire, Michael A. and Garlea, V. Ovidiu and KC, Santosh and Cooper, Valentino R. and Yan, Jiaqiang and Cao, Huibo and Sales, Brian C.},
abstractNote = {We have investigated the crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe 3 on single-crystal and polycrystalline materials. Furthermore, the crystal structure contains layers made up of lozenge-shaped Cr 4 tetramers. Electrical resistivity measurements show the crystals to be semiconducting, with a temperature dependence consistent with a band gap of 0.3 eV. The magnetic susceptibility exhibits a broad maximum near 300 K characteristic of low dimensional magnetic systems. Weak anomalies are observed in the susceptibility and heat capacity near 55 K, and single-crystal neutron diffraction reveals the onset of long-range antiferromagnetic order at this temperature. Strongly dispersive spin waves are observed in the ordered state. Significant magnetoelastic coupling is indicated by the anomalous temperature dependence of the lattice parameters and is evident in structural optimization in van der Waals density functional theory calculations for different magnetic configurations. The cleavability of the compound is apparent from its handling and is confirmed by first-principles calculations, which predict a cleavage energy 0.5 J / m 2 , similar to graphite. Based on our results, CrTe 3 is identified as a promising compound for studies of low dimensional magnetism in bulk crystals as well as magnetic order in monolayer materials and van der Waals heterostructures.},
doi = {10.1103/PhysRevB.95.144421},
journal = {Physical Review B},
number = 14,
volume = 95,
place = {United States},
year = {2017},
month = {4}
}

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

Save / Share:

Works referenced in this record:

Coupled Spin and Valley Physics in Monolayers of MoS 2 and Other Group-VI Dichalcogenides
journal, May 2012


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Quasi-One-Dimensional Magnons in an Intermetallic Marcasite
journal, April 2012


Use of frit-disc crucibles for routine and exploratory solution growth of single crystalline samples
journal, December 2015


Projector augmented-wave method
journal, December 1994


Magnetic Properties of Fresnoite-Type Vanadium Oxides: A2V3O8 (A = K, Rb, NH4)
journal, February 1995


Etude des proprietes thermodynamiques d'un groupement tetranucleaire
journal, January 1977


On the phase CrTe3: Short communication
journal, January 1979

  • Klepp, Kurt O.; Ipser, Herbert
  • Monatshefte f�r Chemie, Vol. 110, Issue 2
  • DOI: 10.1007/BF00911937

Symmetry-Based Computational Tools for Magnetic Crystallography
journal, July 2015


Exfoliation and Raman Spectroscopic Fingerprint of Few-Layer NiPS3 Van der Waals Crystals
journal, February 2016

  • Kuo, Cheng-Tai; Neumann, Michael; Balamurugan, Karuppannan
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep20904

Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks
journal, September 2015


Emerging Photoluminescence in Monolayer MoS2
journal, April 2010

  • Splendiani, Andrea; Sun, Liang; Zhang, Yuanbo
  • Nano Letters, Vol. 10, Issue 4, p. 1271-1275
  • DOI: 10.1021/nl903868w

Spin and pseudospins in layered transition metal dichalcogenides
journal, April 2014

  • Xu, Xiaodong; Yao, Wang; Xiao, Di
  • Nature Physics, Vol. 10, Issue 5
  • DOI: 10.1038/nphys2942

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

The Cr-Te (Chromium-Tellurium) System
journal, August 1994


Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993


Neutron inelastic scattering investigation of the magnetic excitations in Cu 2 Te 2 O 5 X 2 ( X = Br , Cl )
journal, June 2005


Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI 3
journal, January 2015

  • McGuire, Michael A.; Dixit, Hemant; Cooper, Valentino R.
  • Chemistry of Materials, Vol. 27, Issue 2
  • DOI: 10.1021/cm504242t

Interpretation of the magnetic properties of Pfeiffer's cation, Cr4(OH)6(en)66+
journal, September 1969

  • Flood, Michael T.; Barraclough, C. G.; Gray, Harry B.
  • Inorganic Chemistry, Vol. 8, Issue 9
  • DOI: 10.1021/ic50079a009

Spin-lozenge thermodynamics and magnetic excitations in Na 3 RuO 4
journal, November 2009


CrXTe 3 (X = Si, Ge) nanosheets: two dimensional intrinsic ferromagnetic semiconductors
journal, January 2014

  • Li, Xingxing; Yang, Jinlong
  • Journal of Materials Chemistry C, Vol. 2, Issue 34
  • DOI: 10.1039/C4TC01193G

Dramatic modification of the magnetic properties of lamellar manganese trithiophosphonite (MnPS3) upon intercalation
journal, September 1980

  • Clement, R.; Girerd, J. J.; Morgenstern-Badarau, I.
  • Inorganic Chemistry, Vol. 19, Issue 9
  • DOI: 10.1021/ic50211a079

Magnetic structure and phase stability of the van der Waals bonded ferromagnet Fe 3 x GeTe 2
journal, January 2016


Computational discovery of ferromagnetic semiconducting single-layer CrSnTe 3
journal, July 2015


Doping enhanced ferromagnetism and induced half-metallicity in CrI 3 monolayer
journal, May 2016


Electronic and magnetic properties of single-layer M P X 3 metal phosphorous trichalcogenides
journal, November 2016


Weak Ferromagnetism and Field-Induced Spin Reorientation in K 2 V 3 O 8
journal, January 2001


The electronic properties of graphene
journal, January 2009

  • Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.
  • Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162
  • DOI: 10.1103/RevModPhys.81.109

Anisotropy in the magnetic and electrical transport properties of Fe 1 x Cr x Sb 2
journal, September 2007


van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations
journal, June 2012


Raman spectroscopy of atomically thin two-dimensional magnetic iron phosphorus trisulfide (FePS 3 ) crystals
journal, August 2016


Two-Dimensional Materials from Data Filtering and Ab Initio Calculations
journal, July 2013


Exfoliating biocompatible ferromagnetic Cr-trihalide monolayers
journal, January 2016

  • Liu, Junyi; Sun, Qiang; Kawazoe, Yoshiyuki
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 13
  • DOI: 10.1039/C5CP04835D

Magnetic interactions in the layer compounds MPX3 (M = Mn, Fe, Ni; X = S, Se)
journal, January 1982


CrTe3?A Novel Transition-Metal Polytelluride
journal, December 1982

  • Klepp, Kurt O.; Ipser, Herbert
  • Angewandte Chemie International Edition in English, Vol. 21, Issue 12
  • DOI: 10.1002/anie.198209111

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Transport, thermal, and magnetic properties of the narrow-gap semiconductor CrSb 2
journal, December 2012


β-Ag 3 RuO 4 , a Ruthenate(V) Featuring Spin Tetramers on a Two-Dimensional Trigonal Lattice
journal, March 2016

  • Prasad, Beluvalli E.; Kazin, Pavel; Komarek, Alexander C.
  • Angewandte Chemie International Edition, Vol. 55, Issue 14
  • DOI: 10.1002/anie.201510576

Van der Waals heterostructures
journal, July 2013

  • Geim, A. K.; Grigorieva, I. V.
  • Nature, Vol. 499, Issue 7459, p. 419-425
  • DOI: 10.1038/nature12385

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Fe3GeTe2 and Ni3GeTe2 – Two New Layered Transition-Metal Compounds: Crystal Structures, HRTEM Investigations, and Magnetic and Electrical Properties
journal, April 2006

  • Deiseroth, Hans-Jörg; Aleksandrov, Krasimir; Reiner, Christof
  • European Journal of Inorganic Chemistry, Vol. 2006, Issue 8
  • DOI: 10.1002/ejic.200501020

Recent Advances in Two-Dimensional Materials beyond Graphene
journal, October 2015


Magnetic Properties of Layered Itinerant Electron Ferromagnet Fe 3 GeTe 2
journal, December 2013

  • Chen, Bin; Yang, JinHu; Wang, HangDong
  • Journal of the Physical Society of Japan, Vol. 82, Issue 12
  • DOI: 10.7566/JPSJ.82.124711

Static and dynamic critical properties of the quasi-two-dimensional antiferromagnet MnPS 3
journal, September 2006


Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
journal, September 2007


Spintronics of antiferromagnetic systems (Review Article)
journal, January 2014

  • Gomonay, E. V.; Loktev, V. M.
  • Low Temperature Physics, Vol. 40, Issue 1
  • DOI: 10.1063/1.4862467

Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers
journal, June 2015


Van der Waals density functional: An appropriate exchange functional
journal, April 2010


Antiferromagnetic metal spintronics
journal, August 2011

  • MacDonald, A. H.; Tsoi, M.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 369, Issue 1948
  • DOI: 10.1098/rsta.2011.0014

A roadmap for graphene
journal, October 2012

  • Novoselov, K. S.; Fal′ko, V. I.; Colombo, L.
  • Nature, Vol. 490, Issue 7419
  • DOI: 10.1038/nature11458

Two-dimensional van der Waals materials
journal, September 2016

  • Ajayan, Pulickel; Kim, Philip; Banerjee, Kaustav
  • Physics Today, Vol. 69, Issue 9
  • DOI: 10.1063/PT.3.3297

MnPSe 3 Monolayer: A Promising 2D Visible-Light Photohydrolytic Catalyst with High Carrier Mobility
journal, April 2016


Electronic structure and magnetic ordering of the semiconducting chromium trihalides CrCl 3 , CrBr 3 , and CrI 3
journal, March 2011


Strong spin-lattice coupling in CrSiTe 3
journal, April 2015

  • Casto, L. D.; Clune, A. J.; Yokosuk, M. O.
  • APL Materials, Vol. 3, Issue 4
  • DOI: 10.1063/1.4914134

Antiferromagnetic spintronics
journal, March 2016

  • Jungwirth, T.; Marti, X.; Wadley, P.
  • Nature Nanotechnology, Vol. 11, Issue 3
  • DOI: 10.1038/nnano.2016.18

Anionic polymeric bonds in transition metal ditellurides
journal, January 1992


Recent progress on HYSPEC, and its polarization analysis capabilities
journal, January 2015


Magnetism, electronic spectra, and structure of transition metal alkaloids. VII. Iron(III) halo alkaloids
journal, January 1969

  • Kakos, Ga; Winter, G.
  • Australian Journal of Chemistry, Vol. 22, Issue 1
  • DOI: 10.1071/CH9690097

Single-layer MoS2 transistors
journal, January 2011

  • Radisavljevic, B.; Radenovic, A.; Brivio, J.
  • Nature Nanotechnology, Vol. 6, Issue 3, p. 147-150
  • DOI: 10.1038/nnano.2010.279