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Using first principles calculations, we analyze structural and magnetic trends as a function of charge doping and pressure in BaFe$_2$As$_2$, and compare to experimentally established facts. We find that density functional theory, while…

Superconductivity · Physics 2015-05-18 M. D. Johannes , I. I. Mazin , D. S. Parker

The electronic structures of Fe-doped III-V semiconductors were studied by first-principles supercell calculation. It was found that their electronic structures are basically the same as those of Mn-doped ones except that the extra electron…

Strongly Correlated Electrons · Physics 2019-11-11 Shoya Sakamoto , Atsushi Fujimori

A direct observation of the giant Zeeman splitting of the free excitons in (Ga,Fe)N is reported. The magnetooptical and magnetization data imply the ferromagnetic sign and a reduced magnitude of the effective p-d exchange energy governing…

The electronic and magnetic properties of the excess Fe in iron telluride Fe$_{(1+x)}$Te are investigated by density functional calculations. We find that the excess Fe occurs with valence near Fe$^{+}$, and therefore provides electron…

Superconductivity · Physics 2009-01-28 Lijun Zhang , D. J. Singh , Mao-Hua Du

In the present work, we have prepared Mn-doped Ge using different annealing approaches after Mn ion implantation, and obtained samples with hole concentrations ranging from 10^18 to 2.1x10^20 cm^-3, the latter being the highest reported so…

Diluted Magnetic Semiconductors (DMS) doped with a small concentration of magnetic impurities inducing ferromagnetic DMSs have attracted a lot of attention in the few last years. In particular, DMS based on III-V and II-VI semiconductors…

Materials Science · Physics 2011-05-31 L. B. Drissi

Inclusion of correlation effects affects quantitatively the agreement with experiment as far as the value of energy shift and the level of doping is concerned, and our original statement that nesting at ($\pi$,0) can be responsible for…

Superconductivity · Physics 2010-03-17 M. J. Han , S. Y. Savrasov

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

The sign, magnitude, and range of the exchange couplings between pairs of Mn ions is determined for (Ga,Mn)N and (Ga,Mn)N:Si with x < 3%. The samples have been grown by metalorganic vapor phase epitaxy and characterized by secondary-ion…

Using first-principles density functional theory method, we have investigated the distribution and magnetism of doped Mn atoms in the vicinity of the 3 (112) grain boundary in Ge. We find that at low concentration, the substitutional sites…

Materials Science · Physics 2010-05-24 W. Wang , S. L. Zhang , Z. X. Tian , W. Xiao

The effect of Fe doping in the Mn site on the magnetic, transport and structural properties of polycrystalline La1/2Ca1/2MnO3 was studied. Doping with low Fe concentration (< 10%) strongly affects electrical transport and magnetization.…

Materials Science · Physics 2016-08-31 P. Levy , L. Granja , E. Indelicato , D. Vega , G. Polla , F. Parisi

We present a density functional study of Fe doped into the tetrahedral and octahedral cation sites of the wide band gap spinel ZnGa$_2$O$_4$. We calculate the electronic structure for different substitutions and discuss the magnetic and…

Materials Science · Physics 2009-11-11 Leonardo Pisani , Tulika Maitra , Roser Valenti

We present a detailed investigation of the magnetic and structural properties of magnetically doped 3D topological insulator Bi2Se3. From muon spin relaxation measurements in zero magnetic field, we find that even 5% Fe doping on the Bi…

Strongly Correlated Electrons · Physics 2012-03-23 Z. Salman , E. Pomjakushina , V. Pomjakushin , A. Kanigel , K. Chashka , K. Conder , E. Morenzoni , T. Prokscha , K. Sedlak , A. Suter

We present a theoretical study of (Ga,Mn)(As,C) diluted magnetic semiconductors with high C acceptor density that combines insights from phenomenological model and microscopic approaches. A tight-binding coherent potential approximation is…

Materials Science · Physics 2007-05-23 T. Jungwirth , J. Masek , Jairo Sinova , A. H. MacDonald

We have studied the magnetization process of the new insulating ferromagnetic semiconductor (Al,Fe)Sb by means of x-ray magnetic circular dichroism. For an optimally doped sample with 10% Fe, a magnetization was found to rapidly increase at…

We have studied the magnetic-field and concentration dependences of the magnetizations of the hole and Mn subsystems in diluted ferromagnetic semiconductor Ga_{1-x}Mn_xAs. A mean-field approximation to the hole-mediated interaction is used,…

Materials Science · Physics 2009-11-10 Raimundo R. dos Santos , J. d'Albuquerque e Castro , L. E. Oliveira

We have performed x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) studies of the diluted ferromagnetic semiconductor Zn$_{1-\textit{x}}$Cr$_\textit{x}$Te doped with iodine (I) or nitrogen (N), corresponding…

We review pitfalls in recent efforts to make a conventional semiconductor, namely ZnO, ferromagnetic by means of doping with transition metal ions. Since the solubility of those elements is rather low, formation of secondary phases and the…

Materials Science · Physics 2009-08-06 Kay Potzger , Shengqiang Zhou

We predict the appearance of a uniform magnetization in strained three dimensional p-doped semiconductors with inversion symmetry breaking subject to an external electric field. We compute the magnetization response to the electric field as…

Other Condensed Matter · Physics 2009-11-10 B. Andrei Bernevig , Oskar Vafek

The rapidly expanding research in Spintronics, the electronics utilizing the electron spin instead of its charge, is driven by the very interesting potential applications. The actual task is to develop principles for the spin manipulations…

Materials Science · Physics 2009-11-10 A. V. Scherbakov , A. V. Akimov , D. R. Yakovlev , W. Ossau , L. Hansen , A. Waag , L. W. Molenkamp