Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)
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Last updated 31 julho 2024
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://d3i71xaburhd42.cloudfront.net/958bdc19643772686df9a8c605662e6c443d5fab/3-Figure2-1.png)
PDF] A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe.
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://www.mdpi.com/computation/computation-09-00124/article_deploy/html/images/computation-09-00124-g001.png)
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![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://d3i71xaburhd42.cloudfront.net/958bdc19643772686df9a8c605662e6c443d5fab/5-Figure4-1.png)
PDF] A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe.
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://d3i71xaburhd42.cloudfront.net/0c6021a55677b3c7aeef4793eebe8038e82bda8c/2-Figure1-1.png)
PDF] Monolayer CrCl_{3} as an Ideal Test Bed for the Universality Classes of 2D Magnetism.
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://d3i71xaburhd42.cloudfront.net/c7858456e05b018038ea8246b94fc9c744a67a58/6-Figure6-1.png)
PDF] Piezoelectric ferromagnetism in two dimensional FeCl$_2$
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://d3i71xaburhd42.cloudfront.net/3c8ce345f0aa7ee2d2795e1d2e1730a6ba340264/6-Figure1-1.png)
PDF] Predicting anomalous quantum confinement effect in van der Waals materials
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://www.researchgate.net/profile/Kayahan-Saritas/publication/328467940/figure/fig1/AS:692578198499339@1542134918143/DMC-energies-of-rocksalt-RS-wurtzite-WZ-and-zincblende-ZB-phases-of-CoO-Energies.png)
DMC energies of rocksalt (RS), wurtzite (WZ), and zincblende (ZB)
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://www.researchgate.net/publication/332515428/figure/fig4/AS:1132480836972584@1647015880412/Site-orbital-and-spin-projected-scalar-relativistic-densities-of-states-DOS-of-bulk.jpg)
Site-, orbital-, and spin-projected scalar-relativistic densities of
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://media.springernature.com/m685/springer-static/image/art%3A10.1038%2Fs41535-023-00583-6/MediaObjects/41535_2023_583_Fig4_HTML.png)
The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://d3i71xaburhd42.cloudfront.net/c76cf510de80704a1a45a21c468acadbf3764dfe/8-TableII-1.png)
PDF] A pathway toward high-throughput quantum Monte Carlo simulations for alloys: A case study of two-dimensional (2D) GaSxSe1-x.
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