First-Principle Investigation of V and Cr Doping on the Dilute Magnetic Semiconducting Properties of Rutile SnO{sub 2}: a Modified Becke-Johnson (TB-mBJ) Exchange Potential Study
Theoretical investigations on rutile SnO{sub 2} doped with V and Cr were performed by using recently implemented Tran and Blaha’s modified Becke-Johnson exchange potential model (TB-mBJ) based on density functional theory. The electronic, magnetic, dielectric and optical properties of V and Cr-doped tin oxide have been calculated by full-potential linearized augmented plane wave method (FP-LAPW) by WIEN2k code. The present works demonstrate accurate prediction of band structures and properties using the TB-mBJ model. The calculated values of magnetic moment, dielectric constant and refractive index of doped and undoped compounds agree well with the experimental results. The TB-mBJ model is a direct method without using empirical corrections and hence, the furnished data are useful in material modelling for spintronics applications.
- OSTI ID:
- 22771751
- Journal Information:
- Journal of Superconductivity and Novel Magnetism, Vol. 30, Issue 12; Other Information: Copyright (c) 2017 Springer Science+Business Media, LLC, part of Springer Nature; Article Copyright (c) 2017 Springer Science+Business Media New York; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); ISSN 1557-1939
- Country of Publication:
- United States
- Language:
- English
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