Open AccessRethinking the magnetic properties of lepidocrocite: A density functional theory and cluster expansion study
Author(s) -
Daniel J. Pope,
Aurora E. Clark,
Kevin M. Rosso,
Micah P. Prange
Publication year - 2020
Publication title -
journal of applied physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.699
H-Index - 319
eISSN - 1089-7550
pISSN - 0021-8979
DOI - 10.1063/5.0009300
Subject(s) - superexchange , density functional theory , ground state , lattice constant , chemistry , condensed matter physics , lepidocrocite , thermodynamics , heat capacity , heisenberg model , density of states , coupling constant , enthalpy , crystal structure , ferromagnetism , materials science , computational chemistry , adsorption , physics , crystallography , diffraction , quantum mechanics , goethite