Mean field approximation and ab initio calculation of magnetic and optical properties of DyN doped with transition metals (TM: V and Cr)

Mean field approximation and ab initio calculation of magnetic and optical properties of DyN... The structural, optical, and magnetic properties of rare earth nitride $$\hbox {Dy}_{0.95}\hbox {TM}_{0.05}\hbox {N}$$ Dy 0.95 TM 0.05 N (TM: V and Cr) diluted magnetic semiconductors have been investigated using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation. In this work, the effect of GGA–SIC approximations on the electronic properties was investigated in detail. It is revealed from calculating the density of states (DOS) and optical absorption spectra that the ferromagnetic state is stable when TM introduces magnetic moments in $$\hbox {Dy}_{0.95}\hbox {TM}_{0.05}\hbox {N}$$ Dy 0.95 TM 0.05 N (TM: V and Cr). Using the mean field approximation (MFA), the Curie temperature is determined by the total energy difference per V and Cr atoms between the disorder local moment (DLM) and ferromagnetic (FM) state within the ambient conditions, which becomes more important by increasing the concentration or by co-doping (V, Cr) DyN systems. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Computational Electronics Springer Journals

Mean field approximation and ab initio calculation of magnetic and optical properties of DyN doped with transition metals (TM: V and Cr)

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Publisher
Springer US
Copyright
Copyright © 2017 by Springer Science+Business Media, LLC
Subject
Engineering; Mathematical and Computational Engineering; Electrical Engineering; Theoretical, Mathematical and Computational Physics; Optical and Electronic Materials; Mechanical Engineering
ISSN
1569-8025
eISSN
1572-8137
D.O.I.
10.1007/s10825-017-1103-7
Publisher site
See Article on Publisher Site

Abstract

The structural, optical, and magnetic properties of rare earth nitride $$\hbox {Dy}_{0.95}\hbox {TM}_{0.05}\hbox {N}$$ Dy 0.95 TM 0.05 N (TM: V and Cr) diluted magnetic semiconductors have been investigated using the Korringa–Kohn–Rostoker method combined with the coherent potential approximation. In this work, the effect of GGA–SIC approximations on the electronic properties was investigated in detail. It is revealed from calculating the density of states (DOS) and optical absorption spectra that the ferromagnetic state is stable when TM introduces magnetic moments in $$\hbox {Dy}_{0.95}\hbox {TM}_{0.05}\hbox {N}$$ Dy 0.95 TM 0.05 N (TM: V and Cr). Using the mean field approximation (MFA), the Curie temperature is determined by the total energy difference per V and Cr atoms between the disorder local moment (DLM) and ferromagnetic (FM) state within the ambient conditions, which becomes more important by increasing the concentration or by co-doping (V, Cr) DyN systems.

Journal

Journal of Computational ElectronicsSpringer Journals

Published: Nov 17, 2017

References

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