Electronic State of Doubly Charged Oxygen Negative Ion in MgO

元データ 1970-05-05 一般社団法人日本物理学会

概要

The energy bands of MgO, the oxygen 2s-band, the oxygen 2p-bands and the conduction bands, are evaluated by the Green's function method with the Hartree-Fock-Slater self-consistent potential. The charge distribution of electrons in the 2p-bands is determined. It is well localized in the oxygen sphere and the ionic character of the MgO crystal seems to be evident. The atomic 2p-wave function of the hypothetical doubly charged oxygen negative ion is derived from the wave functions of the three states, T_<15>, X'_4 and X'_5.

著者

Asano Setsuro Institute For Solid State Physics The University Of Tokyo
Yamashita Jiro Institute For Solid State Physics The University Of Tokyo
YAMASHITA Jiro Institute for Solid State Physics, University of Tokyo

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