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Title: Electronic and magnetic properties of single-layer M P X 3 metal phosphorous trichalcogenides

Authors:
; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1333322
Grant/Contract Number:  
SC0012670
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 94 Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Chittari, Bheema Lingam, Park, Youngju, Lee, Dongkyu, Han, Moonsup, MacDonald, Allan H., Hwang, Euyheon, and Jung, Jeil. Electronic and magnetic properties of single-layer M P X 3 metal phosphorous trichalcogenides. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.184428.
Chittari, Bheema Lingam, Park, Youngju, Lee, Dongkyu, Han, Moonsup, MacDonald, Allan H., Hwang, Euyheon, & Jung, Jeil. Electronic and magnetic properties of single-layer M P X 3 metal phosphorous trichalcogenides. United States. doi:10.1103/PhysRevB.94.184428.
Chittari, Bheema Lingam, Park, Youngju, Lee, Dongkyu, Han, Moonsup, MacDonald, Allan H., Hwang, Euyheon, and Jung, Jeil. Tue . "Electronic and magnetic properties of single-layer M P X 3 metal phosphorous trichalcogenides". United States. doi:10.1103/PhysRevB.94.184428.
@article{osti_1333322,
title = {Electronic and magnetic properties of single-layer M P X 3 metal phosphorous trichalcogenides},
author = {Chittari, Bheema Lingam and Park, Youngju and Lee, Dongkyu and Han, Moonsup and MacDonald, Allan H. and Hwang, Euyheon and Jung, Jeil},
abstractNote = {},
doi = {10.1103/PhysRevB.94.184428},
journal = {Physical Review B},
number = 18,
volume = 94,
place = {United States},
year = {2016},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.94.184428

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Cited by: 13 works
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Works referenced in this record:

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

Band Structure Calculations of Ferromagnetic Chromium Tellurides CrSiTe 3 and CrGeTe 3
journal, January 1996

  • Siberchicot, B.; Jobic, S.; Carteaux, V.
  • The Journal of Physical Chemistry, Vol. 100, Issue 14
  • DOI: 10.1021/jp952188s

Superconductivity in Ultrathin Nb Se 2 Layers
journal, January 1972


Magnetism, exchange and crystal field parameters in the orbitally unquenched Ising antiferromagnet FePS3
journal, July 1994

  • Chandrasekharan, Nirmala; Vasudevan, Sukumaran
  • Pramana, Vol. 43, Issue 1
  • DOI: 10.1007/BF02847596

Dipolar anisotropy in quasi-2D honeycomb antiferromagnet MnPS3
journal, November 2010


Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Magnetic correlations in the quasi-two-dimensional semiconducting ferromagnet CrSiTe 3
journal, October 2015


Electric-field effects on thickness dependent magnetic anisotropy of sputtered MgO/Co40Fe40B20/Ta structures
journal, May 2010

  • Endo, M.; Kanai, S.; Ikeda, S.
  • Applied Physics Letters, Vol. 96, Issue 21
  • DOI: 10.1063/1.3429592

Infrared (700–100 cm−1) vibrational spectra of the layered transition metal thiophosphates, MPS3 (M = Mn, Fe and Ni)
journal, March 1993


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

Magnetoelectric MnPS 3 as a candidate for ferrotoroidicity
journal, September 2010


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

Coupling the valley degree of freedom to antiferromagnetic order
journal, February 2013

  • Li, X.; Cao, T.; Niu, Q.
  • Proceedings of the National Academy of Sciences, Vol. 110, Issue 10
  • DOI: 10.1073/pnas.1219420110

Structural determination of some MPS3 layered phases (M = Mn, Fe, Co, Ni and Cd)
journal, October 1985


A new approach to Monte Carlo simulations in statistical physics: Wang-Landau sampling
journal, October 2004

  • Landau, D. P.; Tsai, Shan-Ho; Exler, M.
  • American Journal of Physics, Vol. 72, Issue 10
  • DOI: 10.1119/1.1707017

Band Structures and Physical Properties of Magnetic Layered Semiconductors MPS 3
journal, February 1989

  • Kurita, Noriyuki; Nakao, Kenji
  • Journal of the Physical Society of Japan, Vol. 58, Issue 2
  • DOI: 10.1143/JPSJ.58.610

Neutron Diffraction Study on MnPS 3 and FePS 3
journal, November 1983

  • Kurosawa, Ko; Saito, Shozo; Yamaguchi, Yasuo
  • Journal of the Physical Society of Japan, Vol. 52, Issue 11
  • DOI: 10.1143/JPSJ.52.3919

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

Strain-Induced Pseudo-Magnetic Fields Greater Than 300 Tesla in Graphene Nanobubbles
journal, July 2010


Weak Van der Waals Stacking, Wide-Range Band Gap, and Raman Study on Ultrathin Layers of Metal Phosphorus Trichalcogenides
journal, December 2015


Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting
journal, February 2014

  • Liu, Jian; Li, Xi-Bo; Wang, Da
  • The Journal of Chemical Physics, Vol. 140, Issue 5
  • DOI: 10.1063/1.4863695

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


Origin of band gaps in graphene on hexagonal boron nitride
journal, February 2015

  • Jung, Jeil; DaSilva, Ashley M.; MacDonald, Allan H.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7308

Equation of State Calculations by Fast Computing Machines
journal, June 1953

  • Metropolis, Nicholas; Rosenbluth, Arianna W.; Rosenbluth, Marshall N.
  • The Journal of Chemical Physics, Vol. 21, Issue 6
  • DOI: 10.1063/1.1699114

Single-crystal and powder neutron diffraction experiments on Fe P S 3 : Search for the magnetic structure
journal, October 2007


Control of magnetism by electric fields
journal, March 2015

  • Matsukura, Fumihiro; Tokura, Yoshinori; Ohno, Hideo
  • Nature Nanotechnology, Vol. 10, Issue 3
  • DOI: 10.1038/nnano.2015.22

�ber Hexathio- und Hexaselenohypodiphosphate vom Typ M 2 II P2X6
journal, May 1968

  • Klingen, W.; Eulenberger, G.; Hahn, H.
  • Die Naturwissenschaften, Vol. 55, Issue 5
  • DOI: 10.1007/BF00606219

Two-dimensional gas of massless Dirac fermions in graphene
journal, November 2005

  • Novoselov, K. S.; Geim, A. K.; Morozov, S. V.
  • Nature, Vol. 438, Issue 7065, p. 197-200
  • DOI: 10.1038/nature04233

Experimental observation of the quantum Hall effect and Berry's phase in graphene
journal, November 2005

  • Zhang, Yuanbo; Tan, Yan-Wen; Stormer, Horst L.
  • Nature, Vol. 438, Issue 7065, p. 201-204
  • DOI: 10.1038/nature04235

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


The magnon dynamics and spin exchange parameters of FePS 3
journal, September 2012


Zigzag Magnetic Order in the Iridium Oxide Na 2 IrO 3
journal, February 2013


Electronic Conduction in p- and n-Type NiPS3
journal, January 1986


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


Gate-induced superconductivity in atomically thin MoS2 crystals
journal, January 2016

  • Costanzo, Davide; Jo, Sanghyun; Berger, Helmuth
  • Nature Nanotechnology, Vol. 11, Issue 4
  • DOI: 10.1038/nnano.2015.314

Half-Metallicity in MnPSe 3 Exfoliated Nanosheet with Carrier Doping
journal, July 2014

  • Li, Xingxing; Wu, Xiaojun; Yang, Jinlong
  • Journal of the American Chemical Society, Vol. 136, Issue 31
  • DOI: 10.1021/ja505097m

Strong Light-Matter Interactions in Heterostructures of Atomically Thin Films
journal, May 2013


Band Structure of Magnetic Layered Semiconductor NiPS 3
journal, January 1989

  • Kurita, Noriyuki; Nakao, Kenji
  • Journal of the Physical Society of Japan, Vol. 58, Issue 1
  • DOI: 10.1143/JPSJ.58.232

The energy band alignment at the interface between mechanically exfoliated few-layer NiPS3 nanosheets and ZnO
journal, March 2016

  • Kuo, Cheng-Tai; Balamurugan, Karuppannan; Shiu, Hung Wei
  • Current Applied Physics, Vol. 16, Issue 3
  • DOI: 10.1016/j.cap.2016.01.001

Electric-field control of ferromagnetism
journal, December 2000

  • Ohno, H.; Chiba, D.; Matsukura, F.
  • Nature, Vol. 408, Issue 6815
  • DOI: 10.1038/35050040

Magnetism in the layered transition-metal thiophosphates M PS 3 ( M =Mn, Fe, and Ni)
journal, September 1992


Structure determination of ZnPS3
journal, February 1986


Magnetism in MnPSe 3 : a layered 3d 5 antiferromagnet with unusually large XY anisotropy
journal, May 1999


Two-dimensional atomic crystals
journal, July 2005

  • Novoselov, K. S.; Jiang, D.; Schedin, F.
  • Proceedings of the National Academy of Sciences, Vol. 102, Issue 30, p. 10451-10453
  • DOI: 10.1073/pnas.0502848102

A mixed valence compound in the two dimensional MPS3 family: V0.78PS3 structure and physical properties
journal, September 1985


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


Spin waves and the critical behaviour of the magnetization in
journal, July 1998


Massive Dirac Fermions and Hofstadter Butterfly in a van der Waals Heterostructure
journal, May 2013


True two-dimensional magnetic ordering in MnPS 3
journal, June 1994

  • Wildes, A. R.; Kennedy, S. J.; Hicks, T. J.
  • Journal of Physics: Condensed Matter, Vol. 6, Issue 24
  • DOI: 10.1088/0953-8984/6/24/002

Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride
journal, July 2010


Ultrathin nanosheets of CrSiTe 3 : a semiconducting two-dimensional ferromagnetic material
journal, January 2016

  • Lin, Ming-Wei; Zhuang, Houlong L.; Yan, Jiaqiang
  • Journal of Materials Chemistry C, Vol. 4, Issue 2
  • DOI: 10.1039/C5TC03463A

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

Magnetic structure of the quasi-two-dimensional antiferromagnet NiPS 3
journal, December 2015


Physical properties of lithium intercalation compounds of the layered transition-metal chalcogenophosphites
journal, July 1979

  • Brec, R.; Schleich, D. M.; Ouvrard, G.
  • Inorganic Chemistry, Vol. 18, Issue 7
  • DOI: 10.1021/ic50197a018

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

Commensurate–incommensurate transition in graphene on hexagonal boron nitride
journal, April 2014

  • Woods, C. R.; Britnell, L.; Eckmann, A.
  • Nature Physics, Vol. 10, Issue 6
  • DOI: 10.1038/nphys2954

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
journal, April 2013

  • Chhowalla, Manish; Shin, Hyeon Suk; Eda, Goki
  • Nature Chemistry, Vol. 5, Issue 4, p. 263-275
  • DOI: 10.1038/nchem.1589

Surface and Bulk Charge Density Wave Structure in 1 T-TaS2
journal, July 1992