Electron Correlation in Ni Compounds

概要

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The ground state of a model simulating a compound NiX with X representing p-valence atom such as O and S is investigated by calculating rigorously the wave func-tion for a linear cluster. The change from the state corresponding to the insulatingphase with well developed magnetic moment of Ni to the state which may correspondto the metallic phase is investigated by decreasing the charge transfer energy of between Ni and X. It is found that in the state adjacent to the insulating state the spincorrelation between neighboring Ni atoms decreases drastically, while the magnitudeof the magnetic moment of each Ni atom remains large, It is found also that thephotoemission spectra do not change appreciably across the transition. The implica-tion of these results is discussed in connection to the observed insulator-metal transi-Lion in NiS and also to a similar calculation for CuX.
社団法人日本物理学会の論文
1991-09-15