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First Principles Study on the Electronic Properties of Cr, Fe, Mn and Ni Doped β-Ga2O3

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Abstract:

The electronic band structures, partial and total spin density of states of Cr, Fe, Mn and Ni doped β-Ga2O3 are studied. It is shown that there exists only one spin polarized state around the Fermi level for all doped β-Ga2O3. Ferromagnetism is predicted for Mn and Ni doped while spin-glass ground states are predicted for Cr and Fe doped β-Ga2O3. All doped β-Ga2O3 exhibits intermediate bands which are filled with only one spin state electrons and isolated from valence and conduction bands due to the splitting of the 3d orbitals by the potential of crystal and spin interaction

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Advanced Engineering Materials II View Preview

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Periodical:

Advanced Materials Research (Volumes 535-537)

Pages:

36-41

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.535-537.36

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Online since:

June 2012

Authors:

Hao He, Wei Li, Huai Zhong Xing, Er Jun Liang

Keywords:

Band Structure, Ferromagnetism, Optical Property, Spin Density of States

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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