Electronic and magnetic properties of single-layerMPX3metal phosphorous trichalcogenides

Chittari, Bheema Lingam; Park, Youngju; Lee, Dongkyu; Han, Moonsup; MacDonald, Allan H.; Hwang, Euyheon; Jung, Jeil

doi:10.1103/physrevb.94.184428

Electronic and magnetic properties of single-layerMPX3metal phosphorous trichalcogenides

Journal Article · Tue Nov 22 00:00:00 EST 2016 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.94.184428· OSTI ID:1535791

Chittari, Bheema Lingam ^[1]; Park, Youngju ^[2]; Lee, Dongkyu ^[2]; Han, Moonsup ^[2]; MacDonald, Allan H. ^[3]; Hwang, Euyheon ^[4]; Jung, Jeil ^[2]

Sungkyunkwan Univ., Suwon (Republic of Korea); University of Seoul (Korea); DOE/OSTI
University of Seoul (Korea)
Univ. of Texas, Austin, TX (United States)
Sungkyunkwan Univ., Suwon (Republic of Korea)

We survey the electronic structure and magnetic properties of two-dimensional (2D) MPX₃ (M = V, Cr, Mn, Fe, Co, Ni, Cu, Zn, and X = S, Se, Te) transition-metal chalcogenophosphates to shed light on their potential role as single-layer van der Waals materials that possess magnetic order. Our ab initio calculations predict that most of these single-layer materials are antiferromagnetic semiconductors. The band gaps of the antiferromagnetic states decrease as the atomic number of the chalcogen atom increases (from S to Se to Te), leading in some cases to half-metallic ferromagnetic states or to nonmagnetic metallic states. We find that the competition between antiferromagnetic and ferromagnetic states can be substantially influenced by gating and by strain engineering. The sensitive interdependence we find between magnetic, structural, and electronic properties establishes the potential of this 2D materials class for applications in spintronics.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of California, Riverside, CA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC)

Grant/Contract Number:: SC0012670

OSTI ID:: 1535791

Alternate ID(s):: OSTI ID: 1333322

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 18 Vol. 94; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (76)

Semiempirical GGA-type density functional constructed with a long-range dispersion correction Grimme, Stefan Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799 https://doi.org/10.1002/jcc.20495	journal	January 2006
Electronic Conduction in p- and n-Type NiPS3 Foot, P. J. S.; Nevett, B. A. physica status solidi (a), Vol. 93, Issue 1 https://doi.org/10.1002/pssa.2210930135	journal	January 1986
The structures and conduction mechanisms of lithium-intercalated and lithium-substituted nickel phosphorus trisulphide (NiPS3), and the use of the material as a secondary battery electrode Foot, P. J. S.; Katz, T.; Patel, S. N. Physica Status Solidi (a), Vol. 100, Issue 1 https://doi.org/10.1002/pssa.2211000102	journal	March 1987
�ber Hexathio- und Hexaselenohypodiphosphate vom Typ M 2 II P2X6 Klingen, W.; Eulenberger, G.; Hahn, H. Die Naturwissenschaften, Vol. 55, Issue 5 https://doi.org/10.1007/BF00606219	journal	May 1968
Magnetism, exchange and crystal field parameters in the orbitally unquenched Ising antiferromagnet FePS3 Chandrasekharan, Nirmala; Vasudevan, Sukumaran Pramana, Vol. 43, Issue 1 https://doi.org/10.1007/BF02847596	journal	July 1994
Magnetic interactions in the layer compounds MPX3 (M = Mn, Fe, Ni; X = S, Se) Le Flem, G.; Brec, R.; Ouvard, G. Journal of Physics and Chemistry of Solids, Vol. 43, Issue 5 https://doi.org/10.1016/0022-3697(82)90156-1	journal	January 1982
Infrared (700–100 cm−1) vibrational spectra of the layered transition metal thiophosphates, MPS3 (M = Mn, Fe and Ni) Joy, P. A.; Vasudevan, S. Journal of Physics and Chemistry of Solids, Vol. 54, Issue 3 https://doi.org/10.1016/0022-3697(93)90267-U	journal	March 1993
Structural determination of some MPS3 layered phases (M = Mn, Fe, Co, Ni and Cd) Ouvrard, G.; Brec, R.; Rouxel, J. Materials Research Bulletin, Vol. 20, Issue 10 https://doi.org/10.1016/0025-5408(85)90092-3	journal	October 1985
A mixed valence compound in the two dimensional MPS3 family: V0.78PS3 structure and physical properties Ouvrard, G.; Fréour, R.; Brec, R. Materials Research Bulletin, Vol. 20, Issue 9 https://doi.org/10.1016/0025-5408(85)90204-1	journal	September 1985
Structure determination of ZnPS3 Prouzet, E.; Ouvrard, G.; Brec, R. Materials Research Bulletin, Vol. 21, Issue 2 https://doi.org/10.1016/0025-5408(86)90206-0	journal	February 1986
Structural, vibrational and conduction properties of a new class of layer-type MPS3 compounds: MnII1−xMI2xPS3 (MI = Cu, Ag) Mathey, Y.; Clement, R.; Audiere, J. Solid State Ionics, Vol. 9-10 https://doi.org/10.1016/0167-2738(83)90276-X	journal	December 1983
Review on structural and chemical properties of transition metal phosphorous trisulfides MPS3 Brec, R. Solid State Ionics, Vol. 22, Issue 1 https://doi.org/10.1016/0167-2738(86)90055-X	journal	December 1986
The energy band alignment at the interface between mechanically exfoliated few-layer NiPS3 nanosheets and ZnO Kuo, Cheng-Tai; Balamurugan, Karuppannan; Shiu, Hung Wei Current Applied Physics, Vol. 16, Issue 3 https://doi.org/10.1016/j.cap.2016.01.001	journal	March 2016
Strain-engineering of magnetic coupling in two-dimensional magnetic semiconductor CrSiTe3: Competition of direct exchange interaction and superexchange interaction Chen, Xiaofang; Qi, Jingshan; Shi, Daning Physics Letters A, Vol. 379, Issue 1-2 https://doi.org/10.1016/j.physleta.2014.10.042	journal	January 2015
Weak Van der Waals Stacking, Wide-Range Band Gap, and Raman Study on Ultrathin Layers of Metal Phosphorus Trichalcogenides Du, Ke-zhao; Wang, Xing-zhi; Liu, Yang ACS Nano, Vol. 10, Issue 2 https://doi.org/10.1021/acsnano.5b05927	journal	December 2015
Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI ₃ McGuire, Michael A.; Dixit, Hemant; Cooper, Valentino R. Chemistry of Materials, Vol. 27, Issue 2 https://doi.org/10.1021/cm504242t	journal	January 2015
Physical properties of lithium intercalation compounds of the layered transition-metal chalcogenophosphites Brec, R.; Schleich, D. M.; Ouvrard, G. Inorganic Chemistry, Vol. 18, Issue 7 https://doi.org/10.1021/ic50197a018	journal	July 1979
Half-Metallicity in MnPSe ₃ Exfoliated Nanosheet with Carrier Doping Li, Xingxing; Wu, Xiaojun; Yang, Jinlong Journal of the American Chemical Society, Vol. 136, Issue 31 https://doi.org/10.1021/ja505097m	journal	July 2014
Band Structure Calculations of Ferromagnetic Chromium Tellurides CrSiTe ₃ and CrGeTe ₃ Siberchicot, B.; Jobic, S.; Carteaux, V. The Journal of Physical Chemistry, Vol. 100, Issue 14 https://doi.org/10.1021/jp952188s	journal	January 1996
Evidence of the Existence of Magnetism in Pristine VX ₂ Monolayers (X = S, Se) and Their Strain-Induced Tunable Magnetic Properties Ma, Yandong; Dai, Ying; Guo, Meng ACS Nano, Vol. 6, Issue 2 https://doi.org/10.1021/nn204667z	journal	January 2012
Electric-field control of ferromagnetism Ohno, H.; Chiba, D.; Matsukura, F. Nature, Vol. 408, Issue 6815 https://doi.org/10.1038/35050040	journal	December 2000
Two-dimensional gas of massless Dirac fermions in graphene Novoselov, K. S.; Geim, A. K.; Morozov, S. V. Nature, Vol. 438, Issue 7065, p. 197-200 https://doi.org/10.1038/nature04233	journal	November 2005
Experimental observation of the quantum Hall effect and Berry's phase in graphene Zhang, Yuanbo; Tan, Yan-Wen; Stormer, Horst L. Nature, Vol. 438, Issue 7065, p. 201-204 https://doi.org/10.1038/nature04235	journal	November 2005
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets Chhowalla, Manish; Shin, Hyeon Suk; Eda, Goki Nature Chemistry, Vol. 5, Issue 4, p. 263-275 https://doi.org/10.1038/nchem.1589	journal	April 2013
Origin of band gaps in graphene on hexagonal boron nitride Jung, Jeil; DaSilva, Ashley M.; MacDonald, Allan H. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7308	journal	February 2015
Control of magnetism by electric fields Matsukura, Fumihiro; Tokura, Yoshinori; Ohno, Hideo Nature Nanotechnology, Vol. 10, Issue 3 https://doi.org/10.1038/nnano.2015.22	journal	March 2015
Gate-induced superconductivity in atomically thin MoS2 crystals Costanzo, Davide; Jo, Sanghyun; Berger, Helmuth Nature Nanotechnology, Vol. 11, Issue 4 https://doi.org/10.1038/nnano.2015.314	journal	January 2016
Commensurate–incommensurate transition in graphene on hexagonal boron nitride Woods, C. R.; Britnell, L.; Eckmann, A. Nature Physics, Vol. 10, Issue 6 https://doi.org/10.1038/nphys2954	journal	April 2014
Exfoliation and Raman Spectroscopic Fingerprint of Few-Layer NiPS3 Van der Waals Crystals Kuo, Cheng-Tai; Neumann, Michael; Balamurugan, Karuppannan Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep20904	journal	February 2016
Robust intrinsic ferromagnetism and half semiconductivity in stable two-dimensional single-layer chromium trihalides Zhang, Wei-Bing; Qu, Qian; Zhu, Peng Journal of Materials Chemistry C, Vol. 3, Issue 48 https://doi.org/10.1039/C5TC02840J	journal	January 2015
Ultrathin nanosheets of CrSiTe ₃ : a semiconducting two-dimensional ferromagnetic material Lin, Ming-Wei; Zhuang, Houlong L.; Yan, Jiaqiang Journal of Materials Chemistry C, Vol. 4, Issue 2 https://doi.org/10.1039/C5TC03463A	journal	January 2016
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Equation of State Calculations by Fast Computing Machines Metropolis, Nicholas; Rosenbluth, Arianna W.; Rosenbluth, Marshall N. The Journal of Chemical Physics, Vol. 21, Issue 6 https://doi.org/10.1063/1.1699114	journal	June 1953
Electric-field effects on thickness dependent magnetic anisotropy of sputtered MgO/Co40Fe40B20/Ta structures Endo, M.; Kanai, S.; Ikeda, S. Applied Physics Letters, Vol. 96, Issue 21 https://doi.org/10.1063/1.3429592	journal	May 2010
Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting Liu, Jian; Li, Xi-Bo; Wang, Da The Journal of Chemical Physics, Vol. 140, Issue 5 https://doi.org/10.1063/1.4863695	journal	February 2014
Strong spin-lattice coupling in CrSiTe ₃ Casto, L. D.; Clune, A. J.; Yokosuk, M. O. APL Materials, Vol. 3, Issue 4 https://doi.org/10.1063/1.4914134	journal	April 2015
Two-dimensional atomic crystals Novoselov, K. S.; Jiang, D.; Schedin, F. Proceedings of the National Academy of Sciences, Vol. 102, Issue 30, p. 10451-10453 https://doi.org/10.1073/pnas.0502848102	journal	July 2005
Coupling the valley degree of freedom to antiferromagnetic order Li, X.; Cao, T.; Niu, Q. Proceedings of the National Academy of Sciences, Vol. 110, Issue 10 https://doi.org/10.1073/pnas.1219420110	journal	February 2013
Spin waves and the critical behaviour of the magnetization in Wildes, A. R.; Roessli, B.; Lebech, B. Journal of Physics: Condensed Matter, Vol. 10, Issue 28 https://doi.org/10.1088/0953-8984/10/28/020	journal	July 1998
Magnetism in MnPSe ₃ : a layered 3d ⁵ antiferromagnet with unusually large XY anisotropy Jeevanandam, P.; Vasudevan, S. Journal of Physics: Condensed Matter, Vol. 11, Issue 17 https://doi.org/10.1088/0953-8984/11/17/314	journal	May 1999
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
The magnon dynamics and spin exchange parameters of FePS ₃ Wildes, A. R.; Rule, K. C.; Bewley, R. I. Journal of Physics: Condensed Matter, Vol. 24, Issue 41 https://doi.org/10.1088/0953-8984/24/41/416004	journal	September 2012
True two-dimensional magnetic ordering in MnPS ₃ Wildes, A. R.; Kennedy, S. J.; Hicks, T. J. Journal of Physics: Condensed Matter, Vol. 6, Issue 24 https://doi.org/10.1088/0953-8984/6/24/002	journal	June 1994
Self-interaction correction to density-functional approximations for many-electron systems Perdew, J. P.; Zunger, Alex Physical Review B, Vol. 23, Issue 10, p. 5048-5079 https://doi.org/10.1103/PhysRevB.23.5048	journal	May 1981
Magnetism in the layered transition-metal thiophosphates M PS 3 ( M =Mn, Fe, and Ni) Joy, P. A.; Vasudevan, S. Physical Review B, Vol. 46, Issue 9 https://doi.org/10.1103/PhysRevB.46.5425	journal	September 1992
Single-crystal and powder neutron diffraction experiments on Fe P S 3 : Search for the magnetic structure Rule, K. C.; McIntyre, G. J.; Kennedy, S. J. Physical Review B, Vol. 76, Issue 13 https://doi.org/10.1103/PhysRevB.76.134402	journal	October 2007
Magnetoelectric MnPS 3 as a candidate for ferrotoroidicity Ressouche, E.; Loire, M.; Simonet, V. Physical Review B, Vol. 82, Issue 10 https://doi.org/10.1103/PhysRevB.82.100408	journal	September 2010
Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H. Physical Review B, Vol. 91, Issue 23 https://doi.org/10.1103/PhysRevB.91.235425	journal	June 2015
Computational discovery of ferromagnetic semiconducting single-layer CrSnTe 3 Zhuang, Houlong L.; Xie, Yu; Kent, P. R. C. Physical Review B, Vol. 92, Issue 3 https://doi.org/10.1103/PhysRevB.92.035407	journal	July 2015
Magnetic correlations in the quasi-two-dimensional semiconducting ferromagnet CrSiTe 3 Williams, T. J.; Aczel, A. A.; Lumsden, M. D. Physical Review B, Vol. 92, Issue 14 https://doi.org/10.1103/PhysRevB.92.144404	journal	October 2015
Magnetic structure of the quasi-two-dimensional antiferromagnet NiPS 3 Wildes, A. R.; Simonet, V.; Ressouche, E. Physical Review B, Vol. 92, Issue 22 https://doi.org/10.1103/PhysRevB.92.224408	journal	December 2015
Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride Marom, Noa; Bernstein, Jonathan; Garel, Jonathan Physical Review Letters, Vol. 105, Issue 4 https://doi.org/10.1103/PhysRevLett.105.046801	journal	July 2010
Zigzag Magnetic Order in the Iridium Oxide Na 2 IrO 3 Chaloupka, Jiří; Jackeli, George; Khaliullin, Giniyat Physical Review Letters, Vol. 110, Issue 9 https://doi.org/10.1103/PhysRevLett.110.097204	journal	February 2013
Superconductivity in Ultrathin Nb Se 2 Layers Frindt, R. F. Physical Review Letters, Vol. 28, Issue 5 https://doi.org/10.1103/PhysRevLett.28.299	journal	January 1972
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Charge Density Wave, Superconductivity, and Anomalous Metallic Behavior in 2D Transition Metal Dichalcogenides Castro Neto, A. H. Physical Review Letters, Vol. 86, Issue 19 https://doi.org/10.1103/PhysRevLett.86.4382	journal	May 2001
Two-Dimensional Materials from Data Filtering and Ab Initio Calculations Lebègue, S.; Björkman, T.; Klintenberg, M. Physical Review X, Vol. 3, Issue 3 https://doi.org/10.1103/PhysRevX.3.031002	journal	July 2013
A new approach to Monte Carlo simulations in statistical physics: Wang-Landau sampling Landau, D. P.; Tsai, Shan-Ho; Exler, M. American Journal of Physics, Vol. 72, Issue 10 https://doi.org/10.1119/1.1707017	journal	October 2004
Strain-Induced Pseudo-Magnetic Fields Greater Than 300 Tesla in Graphene Nanobubbles Levy, N.; Burke, S. A.; Meaker, K. L. Science, Vol. 329, Issue 5991 https://doi.org/10.1126/science.1191700	journal	July 2010
Strong Light-Matter Interactions in Heterostructures of Atomically Thin Films Britnell, L.; Ribeiro, R. M.; Eckmann, A. Science, Vol. 340, Issue 6138 https://doi.org/10.1126/science.1235547	journal	May 2013
Massive Dirac Fermions and Hofstadter Butterfly in a van der Waals Heterostructure Hunt, B.; Sanchez-Yamagishi, J. D.; Young, A. F. Science, Vol. 340, Issue 6139 https://doi.org/10.1126/science.1237240	journal	May 2013
Surface and Bulk Charge Density Wave Structure in 1 T-TaS2 Burk, B.; Thomson, R. E.; Clarke, J. Science, Vol. 257, Issue 5068 https://doi.org/10.1126/science.257.5068.362	journal	July 1992
Dipolar anisotropy in quasi-2D honeycomb antiferromagnet MnPS3 Goossens, D. J. The European Physical Journal B, Vol. 78, Issue 3 https://doi.org/10.1140/epjb/e2010-10569-x	journal	November 2010
Neutron Diffraction Study on MnPS ₃ and FePS ₃ Kurosawa, Ko; Saito, Shozo; Yamaguchi, Yasuo Journal of the Physical Society of Japan, Vol. 52, Issue 11 https://doi.org/10.1143/JPSJ.52.3919	journal	November 1983
Band Structure of Magnetic Layered Semiconductor NiPS ₃ Kurita, Noriyuki; Nakao, Kenji Journal of the Physical Society of Japan, Vol. 58, Issue 1 https://doi.org/10.1143/JPSJ.58.232	journal	January 1989
Band Structures and Physical Properties of Magnetic Layered Semiconductors MPS ₃ Kurita, Noriyuki; Nakao, Kenji Journal of the Physical Society of Japan, Vol. 58, Issue 2 https://doi.org/10.1143/JPSJ.58.610	journal	February 1989
Magnetic ground state of semiconducting transition metal trichalcogenide monolayers Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert Carnegie Mellon University https://doi.org/10.1184/r1/6507131.v1	text	January 2015
Charge Density Wave, Superconductivity, and Anomalous Metallic Behavior in 2D Transition Metal Dichalcogenides Castro Neto, A. H. The American Physical Society https://doi.org/10.17877/de290r-1837	text	January 2001
Equation of state calculations by fast computing machines Metropolis, Nicholas; Rosenbluth, Arianna W.; Rosenbluth, Marshall N. https://doi.org/10.2172/4390578	report	March 1953
Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride Marom, Noa; Bernstein, Jonathan; Garel, Jonathan arXiv https://doi.org/10.48550/arxiv.1002.1728	text	January 2010
Commensurate-incommensurate transition for graphene on hexagonal boron nitride Woods, C. R.; Britnell, L.; Eckmann, A. arXiv https://doi.org/10.48550/arxiv.1401.2637	text	January 2014
Origin of band gaps in graphene on hexagonal boron nitride Jung, Jeil; DaSilva, Ashley; MacDonald, Allan H. arXiv https://doi.org/10.48550/arxiv.1403.0496	text	January 2014
Magnetic ground state of semiconducting transition metal trichalcogenide monolayers Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H. arXiv https://doi.org/10.48550/arxiv.1503.00412	text	January 2015
Robust Intrinsic Ferromagnetism and Half Semiconductivity in Stable Two-Dimensional Single-Layer Chromium Trihalides Zhang, Wei-Bing; Qu, Qian; Zhu, Peng arXiv https://doi.org/10.48550/arxiv.1507.07275	text	January 2015
Two Dimensional Atomic Crystals Novoselov, K. S.; Jiang, D.; Booth, T. arXiv https://doi.org/10.48550/arxiv.cond-mat/0503533	text	January 2005
Experimental Observation of Quantum Hall Effect and Berry's Phase in Graphene Zhang, Yuanbo; Tan, Yan-Wen; Stormer, Horst L. arXiv https://doi.org/10.48550/arxiv.cond-mat/0509355	text	January 2005

Cited By (40)

Coherent strong-coupling of terahertz magnons and phonons in a Van der Waals antiferromagnetic insulator Zhang, Qi; Ozerov, Mykhaylo; Boström, Emil Vinas arXiv https://doi.org/10.48550/arxiv.2108.11619	preprint	January 2021
New Frontiers on van der Waals Layered Metal Phosphorous Trichalcogenides Wang, Fengmei; Shifa, Tofik A.; Yu, Peng Advanced Functional Materials, Vol. 28, Issue 37 https://doi.org/10.1002/adfm.201802151	journal	July 2018
Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction Zhang, Shuqing; Xu, Runzhang; Duan, Wenhui Advanced Functional Materials, Vol. 29, Issue 14 https://doi.org/10.1002/adfm.201808380	journal	February 2019
Activating Basal Planes of NiPS ₃ for Hydrogen Evolution by Nonmetal Heteroatom Doping Wang, Jun; Li, Xinzhe; Wei, Bin Advanced Functional Materials, Vol. 30, Issue 12 https://doi.org/10.1002/adfm.201908708	journal	February 2020
Alloy Engineering in Few‐Layer Manganese Phosphorus Trichalcogenides for Surface‐Enhanced Raman Scattering Hou, Xiangyu; Zhang, Xuyang; Ma, Qingwei Advanced Functional Materials, Vol. 30, Issue 12 https://doi.org/10.1002/adfm.201910171	journal	February 2020
Metal Thio- and Selenophosphates as Multifunctional van der Waals Layered Materials Susner, Michael A.; Chyasnavichyus, Marius; McGuire, Michael A. Advanced Materials, Vol. 29, Issue 38 https://doi.org/10.1002/adma.201602852	journal	August 2017
High-Yield Production of Monolayer FePS ₃ Quantum Sheets via Chemical Exfoliation for Efficient Photocatalytic Hydrogen Evolution Cheng, Zhongzhou; Shifa, Tofik Ahmed; Wang, Fengmei Advanced Materials, Vol. 30, Issue 26 https://doi.org/10.1002/adma.201707433	journal	May 2018
Metall‐Phosphor‐Trichalkogenide (MPCh ₃ ): von der Synthese zu aktuellen Energieanwendungen Gusmão, Rui; Sofer, Zdenek; Pumera, Martin Angewandte Chemie, Vol. 131, Issue 28 https://doi.org/10.1002/ange.201810309	journal	April 2019
Metal Phosphorous Trichalcogenides (MPCh ₃ ): From Synthesis to Contemporary Energy Challenges Gusmão, Rui; Sofer, Zdenek; Pumera, Martin Angewandte Chemie International Edition, Vol. 58, Issue 28 https://doi.org/10.1002/anie.201810309	journal	July 2019
High‐Yield Electrochemical Production of Large‐Sized and Thinly Layered NiPS ₃ Flakes for Overall Water Splitting Li, Xinzhe; Fang, Yiyun; Wang, Jun Small, Vol. 15, Issue 30 https://doi.org/10.1002/smll.201902427	journal	June 2019
Tunable electronic structure and magnetic coupling in strained two-dimensional semiconductor MnPSe3 Pei, Qi; Wang, Xiao-Cha; Zou, Ji-Jun Frontiers of Physics, Vol. 13, Issue 4 https://doi.org/10.1007/s11467-018-0796-9	journal	May 2018
Isostructural Mott transition in 2D honeycomb antiferromagnet V0.9PS3 Coak, Matthew J.; Son, Suhan; Daisenberger, Dominik npj Quantum Materials, Vol. 4, Issue 1 https://doi.org/10.1038/s41535-019-0178-8	journal	July 2019
Magnetic 2D materials and heterostructures Gibertini, M.; Koperski, M.; Morpurgo, A. F. Nature Nanotechnology, Vol. 14, Issue 5 https://doi.org/10.1038/s41565-019-0438-6	journal	May 2019
Superior Electronic Structure in Two-Dimensional MnPSe 3 /MoS2 van der Waals Heterostructures Pei, Qi; Song, Yan; Wang, Xiaocha Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-10145-z	journal	August 2017
Probing and controlling magnetic states in 2D layered magnetic materials Mak, Kin Fai; Shan, Jie; Ralph, Daniel C. Nature Reviews Physics, Vol. 1, Issue 11 https://doi.org/10.1038/s42254-019-0110-y	journal	September 2019
Few-layer NiPS ₃ nanosheets as bifunctional materials for Li-ion storage and oxygen evolution reaction Dangol, Raksha; Dai, Zhengfei; Chaturvedi, Apoorva Nanoscale, Vol. 10, Issue 10 https://doi.org/10.1039/c7nr08745d	journal	January 2018
Recent advances in ternary two-dimensional materials: synthesis, properties and applications Wang, Lina; Hu, Peng; Long, Yi Journal of Materials Chemistry A, Vol. 5, Issue 44 https://doi.org/10.1039/c7ta06971e	journal	January 2017
2D library beyond graphene and transition metal dichalcogenides: a focus on photodetection Wang, Feng; Wang, Zhenxing; Yin, Lei Chemical Society Reviews, Vol. 47, Issue 16 https://doi.org/10.1039/c8cs00255j	journal	January 2018
Rapid fabrication of SnO ₂ nanoparticle photocatalyst: computational understanding and photocatalytic degradation of organic dye Li, Yuanyuan; Yang, Qimei; Wang, Zhongming Inorganic Chemistry Frontiers, Vol. 5, Issue 12 https://doi.org/10.1039/c8qi00688a	journal	January 2018
Recent progress in black phosphorus and black-phosphorus-analogue materials: properties, synthesis and applications Xu, Yijun; Shi, Zhe; Shi, Xinyao Nanoscale, Vol. 11, Issue 31 https://doi.org/10.1039/c9nr04348a	journal	January 2019
Electronic, magnetic and optical properties of MnPX ₃ (X = S, Se) monolayers with and without chalcogen defects: a first-principles study Yang, Juntao; Zhou, Yong; Guo, Qilin RSC Advances, Vol. 10, Issue 2 https://doi.org/10.1039/c9ra09030d	journal	January 2020
Electrically induced 2D half-metallic antiferromagnets and spin field effect transistors Gong, Shi-Jing; Gong, Cheng; Sun, Yu-Yun Proceedings of the National Academy of Sciences, Vol. 115, Issue 34 https://doi.org/10.1073/pnas.1715465115	journal	August 2018
Two-dimensional quantum-spin-1/2 XXZ magnet in zero magnetic field: Global thermodynamics from renormalisation group theory Sarıyer, Ozan S. Philosophical Magazine, Vol. 99, Issue 14 https://doi.org/10.1080/14786435.2019.1605212	journal	April 2019
Computational methods for 2D materials: discovery, property characterization, and application design Paul, J. T.; Singh, A. K.; Dong, Z. Journal of Physics: Condensed Matter, Vol. 29, Issue 47 https://doi.org/10.1088/1361-648x/aa9305	journal	November 2017
Tunable electronic properties of monolayer MnPSe ₃ /MoTe ₂ heterostructure: a first principles study Fang, Limei; Feng, Qingguo; Luo, Sheng-Nian Journal of Physics: Condensed Matter, Vol. 31, Issue 40 https://doi.org/10.1088/1361-648x/ab2b1c	journal	July 2019
Tuning dimensionality in van-der-Waals antiferromagnetic Mott insulators TM PS ₃ Coak, M. J.; Jarvis, D. M.; Hamidov, H. Journal of Physics: Condensed Matter, Vol. 32, Issue 12 https://doi.org/10.1088/1361-648x/ab5be8	journal	December 2019
Raman spectroscopy of two-dimensional magnetic van der Waals materials Kim, Kangwon; Lee, Jae-Ung; Cheong, Hyeonsik Nanotechnology, Vol. 30, Issue 45 https://doi.org/10.1088/1361-6528/ab37a4	journal	August 2019
Layered metal phosphorous trichalcogenides nanosheets: facile synthesis and photocatalytic hydrogen evolution Cheng, Zhongzhou; Sendeku, Marshet Getaye; Liu, Quanlin Nanotechnology, Vol. 31, Issue 13 https://doi.org/10.1088/1361-6528/ab646d	journal	January 2020
On the origin of magnetic anisotropy in two dimensional CrI ₃ Lado, J. L.; Fernández-Rossier, J. 2D Materials, Vol. 4, Issue 3 https://doi.org/10.1088/2053-1583/aa75ed	journal	June 2017
Electronic and vibrational properties of the two-dimensional Mott insulator V 0.9 PS 3 under pressure Coak, Matthew John; Kim, Yong-Hyun; Yi, Yoo Soo Physical Review B, Vol. 100, Issue 3 https://doi.org/10.1103/physrevb.100.035120	journal	July 2019
Ni-based transition metal trichalcogenide monolayer: A strongly correlated quadruple-layer graphene Gu, Yuhao; Zhang, Qiang; Le, Congcong Physical Review B, Vol. 100, Issue 16 https://doi.org/10.1103/physrevb.100.165405	journal	October 2019
Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe 3 McGuire, Michael A.; Garlea, V. Ovidiu; Kc, Santosh Physical Review B, Vol. 95, Issue 14 https://doi.org/10.1103/physrevb.95.144421	journal	April 2017
Symmetry analysis of current-induced switching of antiferromagnets Watanabe, Hikaru; Yanase, Youichi Physical Review B, Vol. 98, Issue 22 https://doi.org/10.1103/physrevb.98.220412	journal	December 2018
Charge-Spin Correlation in van der Waals Antiferromagnet NiPS 3 Kim, So Yeun; Kim, Tae Yun; Sandilands, Luke J. Physical Review Letters, Vol. 120, Issue 13 https://doi.org/10.1103/physrevlett.120.136402	journal	March 2018
Linear Magnetoelectric Phase in Ultrathin MnPS 3 Probed by Optical Second Harmonic Generation Chu, Hao; Roh, Chang Jae; Island, Joshua O. Physical Review Letters, Vol. 124, Issue 2 https://doi.org/10.1103/physrevlett.124.027601	journal	January 2020
Systematic search for two-dimensional ferromagnetic materials Zhu, Yu; Kong, Xianghua; Rhone, Trevor David Physical Review Materials, Vol. 2, Issue 8 https://doi.org/10.1103/physrevmaterials.2.081001	journal	August 2018
Isostructural Mott transition in 2D honeycomb antiferromagnet V0.9PS3 Coak, Matthew; Son, S.; Daisenberger, D. Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.50634	text	January 2019
On the origin of magnetic anisotropy in two dimensional CrI$_3$ Lado, J. L.; Fernández-Rossier, J. arXiv https://doi.org/10.48550/arxiv.1704.03849	text	January 2017
Two-dimensional quantum-spin-1/2 XXZ magnet in zero magnetic field: global thermodynamics from renormalization group theory Sarıyer, Ozan S. arXiv https://doi.org/10.48550/arxiv.1807.03250	text	January 2018
Ni-based transition-metal trichalcogenide monolayer: a strongly correlated quadruple-layer graphene Gu, Yuhao; Zhang, Qiang; Le, Congcong arXiv https://doi.org/10.48550/arxiv.1811.02333	text	January 2018

Similar Records

Understanding and tuning magnetism in van der Waals-type metal thiophosphates

Journal Article · Sun Aug 04 20:00:00 EDT 2024 · Nanoscale · OSTI ID:2429078

Related Subjects

2-dimensional systems
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Band gap
Chalcogenides
Density functional calculations
Magnetism
Materials Science
Monolayer films
Physics

Electronic and magnetic properties of single-layerMPX3metal phosphorous trichalcogenides

Citation Formats

References (76)

Cited By (40)

Similar Records

Related Subjects