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Related papers: Ferromagnetism in Cr-doped GaN: A First Principles…

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We investigated the magnetism and aggregation trends in cubic Zn1-xCrxS using the density-functional theory calculations.We demonstrate that all studied configurations show ground state half-metallic ferromagnetism (HMF); and Cr impurities…

Materials Science · Physics 2015-05-14 Xingtao Jia , Minghui Qin , Wei Yang

Cu-doped type-I germanium clathrate can exhibit dilute magnetism, including ferromagnetism, antiferromagnetism, and metamagnetic transitions up to 90 K. 63Cu NMR measurements confirm that these transitions are due to a dilute composition of…

Materials Science · Physics 2007-05-23 Yang Li , Weiping Gou , Ji Chi , Joseph H. Ross

The possibility to induce long range ferromagnetic order by doping oxides with transition metal ions has become a very exciting challenge in the last decade. Theoretically, it has been claimed that Mn doped ZrO$_2$ could be a very promising…

Materials Science · Physics 2014-01-03 Akash Chakraborty , Georges Bouzerar

The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…

Materials Science · Physics 2008-09-14 Krzysztof Zberecki , Leszek Adamowicz , Michał Wierzbicki

Magnetic properties of DyAl$_{0.926}$Cr$_{0.074}$O$_3$ and DyAlO$_3$ were studied. We found that both compounds are antiferromagnetic with a low N\'eel transition temperature. At higher temperatures the magnetic characteristics show a…

Materials Science · Physics 2013-06-20 R. Escudero , B. L. Ruiz-Herrera , M. P. Jimenez , F. Morales

We report a surfactant assisted synthesis of Mn doped ZnO polycrystalline samples showing robust room temperature ferromagnetism as characterized by X-ray diffraction analysis, Transmission Electron Microscopy, Electron Paramagnetic…

Materials Science · Physics 2011-11-09 O. D. Jayakumar , I. K. Gopalakrishnan , C. Sudakar , R. M. Kadam , S. K. Kulshreshtha

The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites…

Materials Science · Physics 2010-05-10 Hongliang Shi , Ping Zhang , Shu-Shen Li , Jian-Bai Xia

Ion implantation of Mn ions into hole-doped GaP has been used to induce ferromagnetic behavior above room temperature for optimized Mn concentrations near 3 at.%. The magnetism is suppressed when the Mn dose is increased or decreased away…

Using the first-principles density-functional theory plan-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive and interstitial doped monoclinic, tetragonal and cubic ZrO2 systematically. Our…

Materials Science · Physics 2015-05-13 Xingtao Jia , Wei Yang , Minghui Qin , Jianping Li

Finite-temperature diamagnetic properties of doped antiferromagnets as modeled by the two-dimensional t-J model were investigated by numerical studies of small model systems. Two numerical methods were used: the worldline quantum Monte…

Strongly Correlated Electrons · Physics 2007-05-23 D. Veberic , P. Prelovsek , H. G. Evertz

We present a detailed study of the magnetic properties of unique cluster assembled solids namely Mn doped Ge46 and Ba8Ge46 clathrates using density functional theory. We find that ferromagnetic (FM) ground states may be realized in both the…

Materials Science · Physics 2016-11-26 Nirmal Ganguli , K. V. Shanavas , Indra Dasgupta

Ferromagnetic couplings in spin clusters are shown to be strongly enhanced compared to those for an ordered impurity arrangement, even for the same spin separation and hole doping. The consequent energy-enhancement of the cluster-localized…

Strongly Correlated Electrons · Physics 2007-05-23 Avinash Singh

The samples of Ga doped Cr2O3 oxide have been prepared using chemical co-precipitation route. X-ray diffraction pattern and Raman spectra have confirmed rhombohedral crystal structure with space group R3-C. Magnetic measurement has…

Materials Science · Physics 2017-03-08 R. N. Bhowmik , K. Venkata Siva , R. Ranganathan , Chandan Mazumdar

The possibility that the apparent room temperature ferromagnetism, often measured in Co-doped ZnO, is due to uncompensated spins at the surface of wurtzite CoO nanoclusters is investigated by means of a combination of density functional…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Ruairi Hanafin , Thomas Archer , Stefano Sanvito

We present results of a combined density functional and many-body calculations for the electronic and magnetic properties of the defect-free digital ferromagnetic heterostructures obtained by doping GaAs with Cr and Mn. While local density…

Materials Science · Physics 2016-08-14 F. Beiuşeanu , C. Horea , E. -V. Macocian , T. Jurcuţ , L. Vitos , L. Chioncel

We show that doped cubic iron pyrite, which is a diamagnetic semiconductor, becomes ferromagnetic when $p$-type doped. We furthermore find that this material can exhibit high spin polarization both for tunneling and transport devices. These…

Materials Science · Physics 2021-04-23 Bing-Hua Lei , David J. Singh

Considerable efforts have been devoted recently to synthesize diluted magnetic semiconductors having ferromagnetic properties at room temperature because of their technological impacts for spintronic devices. In 2001 successful growth of…

We report a theoretical and experimental investigation of Cr-doped AlN. Density functional calculations predict that the isolated Cr t2 defect level in AlN is 1/3 full, falls approximately at midgap, and broadens into an impurity band for…

The origin of ferromagnetism in semimagnetic III-V materials is discussed. The indirect exchange interaction caused by virtual electron excitations from magnetic impurity level in the bandgap to the valence band can explain ferromagnetism…

Materials Science · Physics 2009-11-07 V. I. Litvinov , V. K. Dugaev

We study the electronic structure and magnetism of 25% Mn substituted cubic Zirconia (ZrO2) with several homogeneous and heterogeneous doping profiles using density-functional theory calculations. We find that all doping profiles show…

Materials Science · Physics 2008-09-08 Xingtao Jia , Wei Yang , Minghui Qin , Xinglai Zhang , Mingai Sun , Jianping Li