Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)

Ramya Gurunathan posted on LinkedIn

PDF) A Quantum Monte Carlo study of the structural, energetic, and magnetic properties of two-dimensional (2D) H and T phase VSe$_2

PDF) A Quantum Monte Carlo study of the structural, energetic, and magnetic properties of two-dimensional (2D) H and T phase VSe$_2

The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6

Figure S4: DMC calculated total energies of a 16-atom supercell

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)

PDF] A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe.

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

a) DMC charge-density isosurface differences for the indicated