Predication of screened hybrid functional on transition metal monoxides: From Mott insulator to charge transfer insulator
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.151707
Abstract: Abstract A systematic study on structural, electronic and magnetic properties of transition metal monoxides (TMOs with TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) is performed using the screened hybrid functional, also… read more here.
Keywords: screened hybrid; transition metal; metal; hybrid functional ... See more keywords