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Wines, Daniel, Choudhary, Kamal, Tavazza, Francesca (2023) Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F) The Journal of Physical Chemistry C, 127 (2) 1176-1188 doi:10.1021/acs.jpcc.2c06733

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Reference TypeJournal (article/letter/editorial)
TitleSystematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)
JournalThe Journal of Physical Chemistry C
AuthorsWines, DanielAuthor
Choudhary, KamalAuthor
Tavazza, FrancescaAuthor
Year2023 (January 19)Volume127
Issue2
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpcc.2c06733Search in ResearchGate
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Mindat Ref. ID15678971Long-form Identifiermindat:1:5:15678971:6
GUID0
Full ReferenceWines, Daniel, Choudhary, Kamal, Tavazza, Francesca (2023) Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F) The Journal of Physical Chemistry C, 127 (2) 1176-1188 doi:10.1021/acs.jpcc.2c06733
Plain TextWines, Daniel, Choudhary, Kamal, Tavazza, Francesca (2023) Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F) The Journal of Physical Chemistry C, 127 (2) 1176-1188 doi:10.1021/acs.jpcc.2c06733
In(2023, January) The Journal of Physical Chemistry C Vol. 127 (2) American Chemical Society (ACS)

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Wines, Daniel, Tiihonen, Juha, Saritas, Kayahan, Krogel, Jaron T., Ataca, Can (2023) A Quantum Monte Carlo Study of the Structural, Energetic, and Magnetic Properties of Two-Dimensional H and T Phase VSe2. The Journal of Physical Chemistry Letters, 14 (14) 3553-3560 doi:10.1021/acs.jpclett.3c00497
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Guan, Zhaoyong, Ni, Shuang (2021) Prediction of High Curie Temperature, Large Magnetic Crystal Anisotropy, and Carrier Doping-Induced Half-Metallicity in Two-Dimensional Ferromagnetic FeX3 (X = F, Cl, Br, and I) Monolayers. The Journal of Physical Chemistry C, 125 (30) 16700-16710 doi:10.1021/acs.jpcc.1c03915
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Mahajan, Akshay, Bhowmick, Somnath (2023) Magnetoelectric Multiferroic Janus Monolayers VOXY (X/Y = F, Cl, Br, or I, and X ≠ Y) with In-Plane Ferroelectricity and Out-of-Plane Piezoelectricity. The Journal of Physical Chemistry C, 127 (23) 11407-11418 doi:10.1021/acs.jpcc.3c03100
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