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cond-mat.mtrl-sci2026
Automated Generation of Commensurate Magnetic Structures based on Spin Space Groups and Graph Theory
Yifan Wang, Boyang Deng, John Robertson +3
Magnetic structures with symmetry constraints are candidates for energetically favorable configurations. Enumerating these structures is essential for identifying experimental obse…
cond-mat.mtrl-sci2023
Automatic Calculation of the Transition Temperatures for two-dimensional Heisenberg type Magnets
Haichang Lu, Tai Yang, Zhimei Sun +2
Theoretical prediction of the 2nd-order magnetic transition temperature (TM) used to be arduous. Here, we develop a first principle-based, fully automatic structure-to-TM method fo…