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We report results of a Monte Carlo study of doped, diluted magnetic semiconductors in the low carrier density (insulating) regime. We find that the system undergoes a transition from a paramagnet at high temperatures to a ferromagnet at low…

Materials Science · Physics 2007-05-23 Xin Wan , R. N. Bhatt

We present ab initio density functional calculations that show P (Al) dopant atoms in small hydrogen-terminated Si crystals to be negatively (positively) charged. These signs of the dopant charges are reversed relative to the same dopants…

Materials Science · Physics 2016-08-16 Torbjorn Blomquist , George Kirczenow

Oxide materials offer a wide range of interesting physical and chemical properties. Even more versatile behavior of oxides is seen at the nanoscale, qualifying these materials for a number of applications. In this study we used DFT…

We have calculated the chemical trend of magnetic exchange parameters ($J_{dd}$, $N \alpha$, and $N \beta$) of Zn-based II-VI semiconductors ZnA (A=O, S, Se, and Te) doped with Co or Mn. We show that a proper treatment of electron…

Strongly Correlated Electrons · Physics 2015-05-13 T. Chanier , F. Virot , R. Hayn

Structure, transport and magnetic properties have been investigated for layered NaCo1-xMnxO2 materials. With the increase of Mn-doping amount, measurements of x-ray diffraction indicate that the in-plane lattice parameter a decreases…

Strongly Correlated Electrons · Physics 2007-05-23 W. Y. Zhang , H. C. Yu , Y. G. Zhao , X. P. Zhang , Y. G. Shi , Z. H. Cheng , J. Q. Li

X-ray absorption near edge spectra (XANES) and magnetization of Zn doped MnV2O4 have been measured and from the magnetic measurement the critical exponents and magnetocaloric effect have been estimated. The XANES study indicates that Zn…

Strongly Correlated Electrons · Physics 2015-02-02 Prashant Shahi , Harishchandra Singh , A. Kumar , K. K. Shukla , A. K. Ghosh , A. K. Yadav , A. K. Nigam , Sandip Chatterjee

We have performed magnetoresistance measurements on single-domain, submicron elliptical Ni particles using nonmagnetic probes in a four probe geometry at liquid helium temperatures. In the smallest particles, the magnetoresistance shows…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 J. Aumentado , V. Chandrasekhar

Nanocrystals based on metal-halide perovskites offer a promising material platform for highly efficient lighting. Using transient optical spectroscopy, we study excitation recombination dynamics in manganese-doped CsPb(Cl,Br)3 perovskite…

Ni-Mn-Ga is interesting as a prototype of a magnetic shape-memory alloy showing large magnetic field induced strains. We present here results for the magnetic ordering of Mn-rich Ni-Mn-Ga alloys based on both experiments and theory.…

Materials Science · Physics 2009-11-07 J. Enkovaara , O. Heczko , A. Ayuela , R. M. Nieminen

We investigate the compositional dependence of the total energy of the mixed crystals (Ga,Mn)As co-doped with As, Sn, and Zn. Using the ab initio LMTO-CPA method we find a correlation between the incorporation of acceptors (Mn, Zn) and…

Materials Science · Physics 2007-05-23 J. Masek , I. Turek , V. Drchal , J. Kudrnovsky , F. Maca

Magnetic carbon nano-structures have potential applications in the field of spintronics as they exhibit valuable magnetic properties. Symmetrically sized small fullerene dimers are substitutional doped with nitrogen (electron rich) and…

Chemical Physics · Physics 2020-06-05 Sandeep Kaur , Amrish Sharma , Hitesh Sharma , Shobhna Dhiman , Isha Mudahar

We calculate magnetization in magnetically doped semiconductors assuming a local exchange model of carrier-mediated ferromagnetic mechanism and using a number of complementary theoretical approaches. In general, we find that the results of…

Materials Science · Physics 2009-11-07 S. Das Sarma , E. H. Hwang , A. Kaminski

Using {\it ab initio} total energy density-functional theory calculations, we investigate the electronic, structural and magnetic properties of Manganese doped Germanium nanowires. The nanowires have been constructed along the [110]…

Materials Science · Physics 2016-08-16 J. T. Arantes , Antônio J. R. da Silva , A. Fazzio

We use the ab initio local-density approximation (LDA) to study of exchange interactions and Tc of Ga1−xMnxAs grown in digitally doped structures. We analyze the crystallographic dependence of exchange interactions predicted by the…

Materials Science · Physics 2007-05-23 J. L. Xu , M. van Schilfgaarde

The electronic properties, exchange interactions, finite-temperature magnetism, and transport properties of random quaternary Heusler Ni$_{2}$MnSn alloys doped with Cu- and Pd-atoms are studied theoretically by means of {\it ab initio}…

Materials Science · Physics 2015-05-19 S. K. Bose , J. Kudrnovský , V. Drchal , I. Turek

The effect of the anisotropy in the exchange interaction on the phase diagrams and magnetization behavior of the Heisenberg thin film has been investigated with effective field formulation in a two spin cluster using the decoupling…

Statistical Mechanics · Physics 2015-06-17 Ümit Akıncı

II-oxide and III-nitride semiconductors doped by nonmagnetic 2p light elements are investigated as potential dilute magnetic semiconductors (DMS). Based on our first-principle calculations, nitrogen doped ZnO, carbon doped ZnO, and carbon…

Materials Science · Physics 2013-05-29 L. Shen , R. Q. Wu , H. Pan , G. W. Peng , M. Yang , Z. D. Sha , Y. P. Feng

A recently discovered magnetic semiconductor Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_2$As$_{2}$, with its decoupled spin and charge doping, provides a unique opportunity to elucidate the microscopic origin of the magnetic interaction and…

Materials Science · Physics 2014-10-17 J. K. Glasbrenner , I. Žutić , I. I. Mazin

We investigate the electronic and magnetic properties of (Ga,Mn)N nanocrystals using the density functional theory. We study both wurtzite and zinc-blende structures doped with one or two substitutional Mn impurities. For a single Mn dopant…

Mesoscale and Nanoscale Physics · Physics 2015-03-13 C. Echeverría-Arrondo , J. Pérez-Conde , A. Ayuela

The formation of the magnetic moment in C- and N-doped MgO is the result of a delicate interplay between Hund's coupling, hybridization and Jahn-Teller distortion. The balance depends on a number of environmental variables including…

Materials Science · Physics 2015-05-13 Andrea Droghetti , Stefano Sanvito
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