Ferromagnetic orderings in CoxCuyZn1−(x+y)O by GGA and GGA+U formalisms within density functional theory
Sign Up to like & getrecommendations! Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2016.09.045
Abstract: Abstract Based on density functional theory within GGA and GGA+U formalisms, first-principles spin-polarized calculations have been performed to study the ferromagnetic orderings in Co x Cu 0.042 Zn 1−( x +0.042) O ( x = 0… read more here.
Keywords: density functional; ferromagnetic orderings; gga gga; functional theory ... See more keywords
GGA and GGA + U Study of ThMn2Si2 and ThMn2Ge2 Compounds in a Body-Centered Tetragonal Ferromagnetic Phase
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27207070
Abstract: Our study used the full-potential linearized augmented plane waves (FP-LAPW) method to conduct a first-principles evaluation of the structural, electronic, and magnetic properties of ThMn2X2 (X = Si and Ge) compounds. To establish theoretical dependability… read more here.
Keywords: magnetic properties; ferromagnetic phase; gga gga; gga ... See more keywords