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cond-mat.mtrl-sci2026
Unbiased first-principles construction of complete tensorial spin Hamiltonians
Haichang Lu, Boyang Deng, Hiroshi Katsumoto +3
Magnetic ground states are commonly predicted using spin Hamiltonians whose interaction terms are selected a priori, potentially overlooking the microscopic interactions that gover…
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…