Detail

Dataset for "Optimizing Density Functional Theory for Strain-Dependent Magnetic Properties of Monolayer MnBi2Te4 with Diffusion Monte Carlo"

Jeonghwan Ahn; Swarnava Ghosh; Seoung-Hun Kang; Dameul Jeong; Young-Kyun Kwon; Fernando A. Reboredo; Jaron T. Krogel; Mina Yoon
Monte Carlo QMC benchmark diffusion DFT magnetic properties 2D materials theory Monte Carlo QMC benchmark diffusion DFT magnetic properties 2D materials theory

Year

2026

Source Name

15fe0dd5-c451-4bee-98e0-93c31c50bc38

DOI

10.18126/kbnm-0q70 View on Datacite

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The data and scripts for QMC and DFT calculations for strained monolayer MBT