Electronic structure of 3d-transition-metal monoxides: surface and bulk-point-defects
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Abstract
Abstract We discuss exchange coupling constants of a Heisenberg model in NiO and NiO(0 0 1), obtained with ab initio SIC-LSD method. In addition, using the same approach, we study vacancy induced half-metallicity in NiO and MnO.
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Research context
OpenAlex topics: ZnO doping and properties · Electronic and Structural Properties of Oxides · Magnetic and transport properties of perovskites and related materials
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References (9)
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