The Ferromagnetic and half metallic behaviors of Fe- and Co- doped SnO2 within Local Density Approximation and Self-Interaction-Corrected

Using ab-initio calculation based on the Korringa-Kohn-Rostoker Coherent Potential Approximation (KKR-CPA) method in connection with the local density approximation without and within self-interaction-corrected (LDA and LDA-SIC), we represent a theoretical study of the SnO2 doped system with transition metals (TM) which are Iron (Fe) and Cobalt (Co). In this system, the stability of the ferromagnetic state compared with the spin-glass state is investigated by comparing their total energies. The Ferromagnetic and half metallic behaviors was observed and conformed with the local-moment-disordered (LMD) state energy for LDA (local density approximation) and LDA-SIC (local density approximation-self-interaction correction) approximation in [Sn0.95TM0.05(Fe or Co)]O2 . Based on mean field method, the Curie temperature is estimated. To explain the origin of magnetic behavior, we give information about total and atom projected density of states functions of Fe and Co elements and we propose a model which describes magnetic interaction in [Sn0.95TM0.05(Fe or Co)]O2

Engineering the magnetic and magnetocaloric properties of PrVO3 epitaxial oxide thin films by strain effects

Combining multiple degrees of freedom in strongly-correlated materials such as transition-metal oxides would lead to fascinating magnetic and magnetocaloric features. Herein, the strain effects are used to markedly tailor the magnetic and magnetocaloric properties of PrVO3 thin films. The selection of appropriate thickness and substrate enables us to dramatically decrease the coercive magnetic field from 2.4 T previously observed in sintered PVO3 bulk to 0.05 T for compressive thin films making from the PrVO3 compound a nearly soft magnet. This is associated with a marked enhancement of the magnetic moment and the magnetocaloric effect that reach unusual maximum values of roughly 4.86 uB and 56.8 J/kg K in the magnetic field change of 6 T applied in the sample plane at the cryogenic temperature range (3 K), respectively. This work strongly suggests that taking advantage of different degrees of freedom and the exploitation of multiple instabilities in a nanoscale regime is a promising strategy for unveiling unexpected phases accompanied by a large magnetocaloric effect in oxides.Comment: This paper is accepted for publication in Applied Physics Letter

Structural, electronic and magnetic properties of MnB 2

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Ab initio calculation of Zn0.8Mn0.2O1−yNy

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High- ferromagnetism in p-type ZnO diluted magnetic semiconductors

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Electronic and Magnetic Structures of PrAg bcc Investigated by First Principle and Series Expansions Calculations

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Assessment of near Pr2/3Sr1/3MnO3 oxide in magnetic cooling

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Electronic Structure and Magnetic Properties of La0.7Ca0.3MnO3 Perovskite

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Electronic structure of C co-doped (Ga, Fe)N-based diluted magnetic semiconductors

We report results of the study on GaN doped with Fe and co-doped with Carbon (C), for acceptors defect, making use of the spin-polarized relativistic Korringa-Kohn-Rostoker coherent-potential approximation method. In order to understand and to explain the half-metallicity and ferromagnetism stability, observed in Ga0.95Fe0.05N with acceptor defects, we calculated the electronic structure and magnetic properties of p-type Ga0.95Fe0.05N. Furthermore, comparison between the electronic structure of the substitutional and interstitial carbon in (Ga, Fe)N is also given. Mechanism of exchange interaction between magnetic ions in Ga0.95Fe0.05N with acceptor defect is investigated. The hyperfine interaction has been calculated for the disordered alloy systems Ga0.95Fe0.05N1-xCx (0.01 ≤ x ≤ 0.08)