Using discrete variational X. method within the local-density-functional theory and cluster models, the electronic structure and magnetic property or MnSh(Ce) are investigated.It is round that Sb5p state is much pola...Using discrete variational X. method within the local-density-functional theory and cluster models, the electronic structure and magnetic property or MnSh(Ce) are investigated.It is round that Sb5p state is much polarized by Ce doping.The spin moment of Sb changes from -0.06 V,in MnSh to -0.32μb, in MnSh(Ce).The interaction between Mn and doped Ce is small compared with that between Sb and Ce in MnSh(Ce).The influence to the magneto-optical Property of MnSh by the doped Ce is discussed. It is expected that the Sb-5p polarization caused by Ce will make MnSh(Ce)a promising magneto-optical material.展开更多
文摘Using discrete variational X. method within the local-density-functional theory and cluster models, the electronic structure and magnetic property or MnSh(Ce) are investigated.It is round that Sb5p state is much polarized by Ce doping.The spin moment of Sb changes from -0.06 V,in MnSh to -0.32μb, in MnSh(Ce).The interaction between Mn and doped Ce is small compared with that between Sb and Ce in MnSh(Ce).The influence to the magneto-optical Property of MnSh by the doped Ce is discussed. It is expected that the Sb-5p polarization caused by Ce will make MnSh(Ce)a promising magneto-optical material.
