Enhanced stability and ordering of 2D MnBi2Se2Te2
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https://www.osti.gov/servlets/purl/2530626
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资源简介：
This dataset includes density functional theory and quantum Monte Carlo calculations on MnBi(Se(1-x)Te(x))4 system for its phase stability and defect formation energies. The data supports publication "Increased Defect Resistance and Ordering in MnBi2(Se(1–x)Te(x))4 via Accurate Diffusion Monte Carlo" (https://doi.org/10.1021/acs.jpcc.5c04299).
提供机构：
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
创建时间：
2026-02-02
