Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)
Por um escritor misterioso
Last updated 08 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/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://www.researchgate.net/publication/359754213/figure/fig1/AS:11431281096493445@1668158541857/a-DMC-charge-density-isosurface-differences-for-the-indicated-compounds-with-respect-to.png)
a) DMC charge-density isosurface differences for the indicated
Direct Photoluminescence Probing of Ferromagnetism in Monolayer Two- Dimensional CrBr3
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://pubs.acs.org/cms/10.1021/acs.jpcc.2c06733/asset/images/large/jp2c06733_0003.jpeg)
Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two- Dimensional (2D) CrX3 (X = I, Br, Cl, F)
Daniel Wines on LinkedIn: Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic…
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://www.frontiersin.org/files/Articles/1078202/fphy-10-1078202-HTML/image_m/fphy-10-1078202-g001.jpg)
Frontiers Two-dimensional Cr-based ferromagnetic semiconductor: Theoretical simulations and design
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://pubs.acs.org/cms/10.1021/jpccck.2023.127.issue-2/asset/18934721-ed18-3472-4ed1-9347214ed189/jpccck.2023.127.issue-2.largecover.jpg)
Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two- Dimensional (2D) CrX3 (X = I, Br, Cl, F)
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://wires.onlinelibrary.wiley.com/cms/asset/18ce5889-b047-4dba-94e1-cb34200c8819/wcms1545-toc-0001-m.jpg)
Computational design of two‐dimensional magnetic materials - Miao - 2022 - WIREs Computational Molecular Science - Wiley Online Library
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://www.researchgate.net/profile/Daniel-Wines-2/publication/366978689/figure/fig4/AS:11431281117179804@1675396146647/Values-of-J-for-2D-a-CrI-3-and-b-CrBr-3-as-a-function-of-U-calculated-with-PBE-U-red_Q320.jpg)
PDF) Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two- Dimensional (2D) CrX 3 (X = I, Br, Cl, F)
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://pubs.acs.org/cms/10.1021/acs.jpcc.2c06733/asset/images/large/jp2c06733_0001.jpeg)
Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two- Dimensional (2D) CrX3 (X = I, Br, Cl, F)
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://www.researchgate.net/publication/367529958/figure/fig4/AS:11431281115629721@1675049151940/The-radially-averaged-spin-density-r-up-r-down-as-a-function-of-distance-calculated_Q320.jpg)
PDF) A Quantum Monte Carlo study of the structural, energetic, and magnetic properties of two-dimensional (2D) H and T phase VSe$_2
![Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)](https://media.springernature.com/full/springer-static/image/art%3A10.1038%2Fs41524-021-00651-0/MediaObjects/41524_2021_651_Fig1_HTML.png)
Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling
![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.
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