Symmetry progression and possible polar metallicity in NiPS3 under pressure

Harms, N; Matsuoka, T.; Samanta, S.; Clune, A.; Smith, K.; Haglund, A.; Feng, E.; Cao, H.; Smith, J.; Mandrus, D.; Kim, H.; Liu, Z.; Musfeldt, J.

doi:10.1038/s41699-022-00313-9

Symmetry progression and possible polar metallicity in NiPS3 under pressure

Journal Article · 01 January 2023 · npj 2D Materials and Applications

DOI:https://doi.org/10.1038/s41699-022-00313-9· OSTI ID:1875650

Harms, N; Matsuoka, T.; Samanta, S.; Clune, A.; Smith, K.; Haglund, A.; Feng, E.; Cao, H.; Smith, J.; Mandrus, D.; Kim, H.; Liu, Z.; Musfeldt, J.

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

DOE Contract Number:: SC0012704

OSTI ID:: 1875650

Report Number(s):: BNL-223148-2022-JACI

Journal Information:: npj 2D Materials and Applications, Journal Name: npj 2D Materials and Applications Journal Issue: 1 Vol. 6; ISSN 2397-7132

Country of Publication:: United States

Language:: English

References (45)

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
Dimensional crossover tuned by pressure in layered magnetic NiPS3 Ma, Xiaoli; Wang, Yimeng; Yin, Yunyu Science China Physics, Mechanics & Astronomy, Vol. 64, Issue 9 https://doi.org/10.1007/s11433-021-1727-6	journal	August 2021
Symmetry Considerations on Martensitic Transformations: "Ferroelectric" Metals? Anderson, P. W.; Blount, E. I. Physical Review Letters, Vol. 14, Issue 7 https://doi.org/10.1103/PhysRevLett.14.217	journal	February 1965
Piezochromism in the magnetic chalcogenide MnPS3 Harms, Nathan C.; Kim, Heung-Sik; Clune, Amanda J. npj Quantum Materials, Vol. 5, Issue 1 https://doi.org/10.1038/s41535-020-00259-5	journal	August 2020
Pressure-induced ferroelectric-like transition creates a polar metal in defect antiperovskites Hg3Te2X2 (X = Cl, Br) Cai, Weizhao; He, Jiangang; Li, Hao Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-21836-7	journal	March 2021
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions Mao, H. K.; Xu, J.; Bell, P. M. Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676 https://doi.org/10.1029/JB091iB05p04673	journal	January 1986
Pressure‐Induced Phase Transformation in NaCl Bassett, William A.; Takahashi, Taro; Mao, Ho‐Kwang Journal of Applied Physics, Vol. 39, Issue 1 https://doi.org/10.1063/1.1655752	journal	January 1968
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
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
Ab initio study of pressure-driven phase transition in FePS 3 and FePSe 3 Zheng, Yueshao; Jiang, Xing-xing; Xue, Xiong-xiong Physical Review B, Vol. 100, Issue 17 https://doi.org/10.1103/PhysRevB.100.174102	journal	November 2019
Pressure-Induced Insulator–Metal Transition in Two-Dimensional Mott Insulator NiPS ₃ Matsuoka, Takahiro; Haglund, Amanda; Xue, Rui Journal of the Physical Society of Japan, Vol. 90, Issue 12 https://doi.org/10.7566/JPSJ.90.124706	journal	December 2021
Electronic and phonon excitations in α − RuC l 3 Reschke, S.; Mayr, F.; Wang, Zhe Physical Review B, Vol. 96, Issue 16 https://doi.org/10.1103/PhysRevB.96.165120	journal	October 2017
Crystal growth of metal-phosphorus-sulfur compounds by vapor transport Nitsche, R.; Wild, P. Materials Research Bulletin, Vol. 5, Issue 6 https://doi.org/10.1016/0025-5408(70)90080-2	journal	June 1970
Lattice dynamics of layered MP X 3 ( M= Mn,Fe,Ni,Zn; X= S,Se) compounds Bernasconi, M.; Marra, G. L.; Benedek, G. Physical Review B, Vol. 38, Issue 17 https://doi.org/10.1103/PhysRevB.38.12089	journal	December 1988
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
Multiband Quantum Criticality of Polar Metals Volkov, Pavel A.; Chandra, Premala Physical Review Letters, Vol. 124, Issue 23 https://doi.org/10.1103/PhysRevLett.124.237601	journal	June 2020
Emergent superconductivity in an iron-based honeycomb lattice initiated by pressure-driven spin-crossover Wang, Yonggang; Ying, Jianjun; Zhou, Zhengyang Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-04326-1	journal	May 2018
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Pressure-Driven Cooperative Spin-Crossover, Large-Volume Collapse, and Semiconductor-to-Metal Transition in Manganese(II) Honeycomb Lattices Wang, Yonggang; Zhou, Zhengyang; Wen, Ting Journal of the American Chemical Society, Vol. 138, Issue 48 https://doi.org/10.1021/jacs.6b10225	journal	November 2016
Metal-insulator transition in Mott-insulator FePS ₃ Tsurubayashi, M.; Kodama, K.; Kano, M. AIP Advances, Vol. 8, Issue 10 https://doi.org/10.1063/1.5043121	journal	October 2018
Pressure-Induced Electronic and Structural Phase Evolution in the van der Waals Compound FePS 3 Haines, C. R. S.; Coak, M. J.; Wildes, A. R. Physical Review Letters, Vol. 121, Issue 26 https://doi.org/10.1103/PhysRevLett.121.266801	journal	December 2018
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
Mott Metal-Insulator Transitions in Pressurized Layered Trichalcogenides Kim, Heung-Sik; Haule, Kristjan; Vanderbilt, David Physical Review Letters, Vol. 123, Issue 23 https://doi.org/10.1103/PhysRevLett.123.236401	journal	December 2019
Tuning the magnetic properties of NiPS ₃ through organic-ion intercalation Tezze, Daniel; Pereira, José M.; Asensio, Yaiza Nanoscale, Vol. 14, Issue 4 https://doi.org/10.1039/D1NR07281A	journal	January 2022
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
Pressure-induced superconductivity and structural transition in ferromagnetic CrSiTe 3 Cai, Wanping; Sun, Hualei; Xia, Wei Physical Review B, Vol. 102, Issue 14 https://doi.org/10.1103/PhysRevB.102.144525	journal	October 2020
Suppression of magnetic ordering in XXZ-type antiferromagnetic monolayer NiPS3 Kim, Kangwon; Lim, Soo Yeon; Lee, Jae-Ung Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-018-08284-6	journal	January 2019
Vibrational study of the [P2S4−6] anion, of some MPS3 layered compounds (), and of their intercalates with [Co(η5-C5H5)+2] cations Sourisseau, C.; Forgerit, J. P.; Mathey, Y. Journal of Solid State Chemistry, Vol. 49, Issue 2 https://doi.org/10.1016/0022-4596(83)90107-X	journal	September 1983
Coherent many-body exciton in van der Waals antiferromagnet NiPS3 Kang, Soonmin; Kim, Kangwon; Kim, Beom Hyun Nature, Vol. 583, Issue 7818 https://doi.org/10.1038/s41586-020-2520-5	journal	July 2020
Developing the Pressure–Temperature–Magnetic Field Phase Diagram of Multiferroic [(CH ₃ ) ₂ NH ₂ ]Mn(HCOO) ₃ Clune, Amanda; Harms, Nathan; O’Neal, Kenneth R. Inorganic Chemistry, Vol. 59, Issue 14 https://doi.org/10.1021/acs.inorgchem.0c01225	journal	July 2020
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y. Physical Review B, Vol. 57, Issue 3, p. 1505-1509 https://doi.org/10.1103/PhysRevB.57.1505	journal	January 1998
A ferroelectric-like structural transition in a metal Shi, Youguo; Guo, Yanfeng; Wang, Xia Nature Materials, Vol. 12, Issue 11 https://doi.org/10.1038/nmat3754	journal	September 2013
Metallic “Ferroelectricity” in the Pyrochlore C d 2 R e 2 O 7 Sergienko, I. A.; Keppens, V.; McGuire, M. Physical Review Letters, Vol. 92, Issue 6 https://doi.org/10.1103/PhysRevLett.92.065501	journal	February 2004
Thickness dependence of electronic structure and optical properties of a correlated van der Waals antiferromagnetic NiPS 3 thin film Lane, Christopher; Zhu, Jian-Xin Physical Review B, Vol. 102, Issue 7 https://doi.org/10.1103/PhysRevB.102.075124	journal	August 2020
Critical enhancement of thermopower in a chemically tuned polar semimetal MoTe ₂ Sakai, Hideaki; Ikeura, Koji; Bahramy, Mohammad Saeed Science Advances, Vol. 2, Issue 11 https://doi.org/10.1126/sciadv.1601378	journal	November 2016
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
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
Exciton-driven antiferromagnetic metal in a correlated van der Waals insulator Belvin, Carina A.; Baldini, Edoardo; Ozel, Ilkem Ozge Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-25164-8	journal	August 2021
A room-temperature ferroelectric semimetal Sharma, Pankaj; Xiang, Fei-Xiang; Shao, Ding-Fu Science Advances, Vol. 5, Issue 7 https://doi.org/10.1126/sciadv.aax5080	journal	July 2019
Symmetry crossover in layered M PS 3 complexes ( M = Mn , Fe , Ni ) via near-field infrared spectroscopy Neal, S. N.; Kim, H. -S.; O'Neal, K. R. Physical Review B, Vol. 102, Issue 8 https://doi.org/10.1103/PhysRevB.102.085408	journal	August 2020
Review on ferroelectric/polar metals Zhou, W. X.; Ariando, A. Japanese Journal of Applied Physics, Vol. 59, Issue SI https://doi.org/10.35848/1347-4065/ab8bbf	journal	May 2020
Origin of pressure‐induced insulator‐to‐metal transition in the van der Waals compound FePS ₃ from first‐principles calculations Evarestov, Robert A.; Kuzmin, Alexei Journal of Computational Chemistry, Vol. 41, Issue 14 https://doi.org/10.1002/jcc.26178	journal	February 2020
Van der Waals density functionals applied to solids Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos Physical Review B, Vol. 83, Issue 19 https://doi.org/10.1103/PhysRevB.83.195131	journal	May 2011
First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao Scripta Materialia, Vol. 108 https://doi.org/10.1016/j.scriptamat.2015.07.021	journal	November 2015
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	journal	May 2015

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Symmetry progression and possible polar metallicity in NiPS3 under pressure

Journal Article · 2022 · npj 2D Materials and Applications · OSTI ID:1871758

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Symmetry progression and possible polar metallicity in NiPS3 under pressure

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