The Spin-Resolved Electronic Band Structure of Cadmium Oxide Doped with Transition Elements

Stepan Syrotyuk; Vira Shved

doi:10.4028/www.scientific.net/SSP.200.123

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The Spin-Resolved Electronic Band Structure of Cadmium Oxide Doped with Transition Elements

Abstract:

The spin-resolved electronic energy bands and partial and total density of states of cadmium oxide doped with Sc, Ti and Cr have been evaluated by means of the ABINIT code. The strong electron correlations of Cd 4d and transition element 3d states have been taken into account. It was found that the CdScO and CdTiO crystals are paramagnetic and CdCrO shows the ferromagnetic ordering.

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Solid State Phenomena (Volume 200)

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123-128

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https://doi.org/10.4028/www.scientific.net/SSP.200.123

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Online since:

April 2013

Authors:

Stepan Syrotyuk, Vira Shved

Keywords:

Cadmium Oxide, Electronic Structure Calculations, Projector Augmented Wave Method, Spin-Resolved DOS, Strongly Correlated Electrons, Transition Element Impurity

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