Cohesive Properties of 3d Transition-Metal Monoxides

元データ 1983-10-15 社団法人日本物理学会


The standard self-consistent KKR band calculations are carried out to 3dtransition metal monoxides Mn0, Fed, Co0 and Nip. The non-magnetic state,the ferromagnetic state and the antiferromagnetic state are considered in turn.According to our calculations the antiferromagnetic Mn0 and Ni0 are insula-tors, but Fe0 and Co0 are metals. The equilibrium lattice constants and thetotal energies are calculated for these states. The antiferromagnetic states arefound to be the most stable state and the theoretical values of the lattice constantare in good agreement with experiments.


Asano Setsuro Institute For Solid State Physics The University Of Tokyo
Yamashita Jiro Department Of Parasitology Faculty Of Veterinary Medicine Hokkaido University