Open AccessDescriptor-based crystal structure prediction of magnetic transition metals: Orbital-spin occupancy rule
Author(s) -
Taewon Jin,
Hyo Seok Ji,
Young Joo Lee,
Joo Young Kim,
S. K. Kwon,
Changhoon Lee,
Ji Hoon Shim
Publication year - 2018
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.5034508
Subject(s) - crystal structure prediction , transition metal , magnetic moment , spin (aerodynamics) , condensed matter physics , crystal (programming language) , sum rule in quantum mechanics , crystal structure , electronic structure , phase transition , materials science , chemistry , physics , thermodynamics , crystallography , computer science , quantum mechanics , biochemistry , quantum chromodynamics , programming language , catalysis
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