2024
DOI: 10.1016/j.commatsci.2023.112752
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An insulating and easy magnetization-plane magnet: The DFT + U and constrained electron population study of 1 T-FeCl2

Ya Yang,
Yabei Wu,
Hailong Yan
et al.
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“…As an all-known fact, the mean-field method usually overestimates the Curie temperature of magnetic materials. 66–69 In this work, such high T N and T Θ values may also stem from the mean-field method. Unfortunately, no experimental data or theoretical results are available for the parameters J , J c , T N , and T Θ of 1Li-FPS and 2Li-FPS; hence, our calculated results need to be verified by future experiments.…”
Section: Resultsmentioning
confidence: 92%
“…As an all-known fact, the mean-field method usually overestimates the Curie temperature of magnetic materials. 66–69 In this work, such high T N and T Θ values may also stem from the mean-field method. Unfortunately, no experimental data or theoretical results are available for the parameters J , J c , T N , and T Θ of 1Li-FPS and 2Li-FPS; hence, our calculated results need to be verified by future experiments.…”
Section: Resultsmentioning
confidence: 92%