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We report first-principles calculations of the energetics and simulated scanning tunneling microscopy (STM) images for Mn dopants near the GaAs (110) surface, and compare the results with cross-sectional STM images. The Mn configurations…

Materials Science · Physics 2009-11-10 J. M. Sullivan , G. I. Boishin , L. J. Whitman , A. T. Hanbicki , B. T. Jonker , S. C. Erwin

Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopical…

Materials Science · Physics 2016-10-06 E. Menéndez-Proupin , P. Palacios , P. Wahnón

We report high resolution x-ray diffraction measurements of (Ga,Mn)As and (Ga,Mn)(As,P) epilayers. We observe a structural anisotropy in the form of stacking faults which are present in the (111) and (11-1) planes and absent in the (-111)…

Materials Science · Physics 2015-05-20 M. Kopecky , J. Kub , F. Maca , J. Masek , O. Pacherova , B. L. Gallagher , R. P. Campion , V. Novak , T. Jungwirth

We employ the dynamical mean field approximation to perform a systematic study of magnetism in Ga_{1-x}Mn_xAs. Our model incorporates the effects of the strong spin-orbit coupling on the J=3/2 GaAs valence bands and of the exchange…

Strongly Correlated Electrons · Physics 2007-05-23 K. Aryanpour , J. Moreno , M. Jarrell , R. S. Fishman

Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), an experimental and theoretical study of changes in the electronic structure (dispersion dependencies) and corresponding modification of the energy…

We have investigated the interplay between the metal-insulator transition and ferromagnetism in $({\rm III}_{1-x},{\rm Mn}_x){\rm V}$ ferromagnetic semiconductors. Our study is based on a model in which $S=5/2$ Mn local moments are…

Condensed Matter · Physics 2009-11-07 S. -R. Eric Yang , A. H. MacDonald

We study quantum interference corrections to the conductivity in (Ga,Mn)As ferromagnetic semiconductors using a model with disordered valence band holes coupled to localized Mn moments through a p-d kinetic-exchange interaction. We find…

Materials Science · Physics 2015-05-13 Ion Garate , Jairo Sinova , T. Jungwirth , A. H. MacDonald

We report a reversible and hysteretic change in the topography measured with a scanning tunneling microscope near a single Fe dopant in a GaAs surface when a small positive bias voltage is applied. First-principles calculations of the…

Mesoscale and Nanoscale Physics · Physics 2015-05-15 J. M. Moore , V. R. Kortan , M. E. Flatté , J. Bocquel , P. M. Koenraad

We propose that a new state with a fully gapless Fermi surface appears in quasi-2D multiband superconductors in magnetic field applied parallel to the plane. It is characterized by a paramagnetic moment caused by a finite density of states…

Superconductivity · Physics 2007-05-23 V. Barzykin , L. P. Gor'kov

The observation of a carrier-density driven metal-insulator transition in n-type GaAs-based heterostructure is reported. Although weaker than in comparable-quality p-type GaAs samples, the main features of the transition are rather similar.

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Y. Hanein , D. Shahar , J. Yoon , C. C. Li , D. C. Tsui , Hadas Shtrikman

Fe-doped III-V ferromagnetic semiconductors (FMSs) such as (In,Fe)As, (Ga,Fe)Sb, (In,Fe)Sb, and (Al,Fe)Sb are promising materials for spintronic device applications because of the availability of both n- and p-type materials and the high…

We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…

Materials Science · Physics 2025-08-20 Kulbhushan Mishra , Shishir Kumar Pandey , S. Chaudhuri , Rajeev Rawat , P. A. Bhobe

The X-ray absorption near-edge structure (XANES) at the Mn K-edge in the (Ga,Mn)As magnetic semiconductor was simulated using the full potential linearized augmented plane wave (FLAPW) method including the core-hole effect. The calculations…

Mesoscale and Nanoscale Physics · Physics 2010-03-24 N. A. Goncharuk , J. Kucera , L. Smrcka

A type of line defect (LD) composed of alternate squares and octagons (4-8) as the basic unit is currently an experimentally available topological defect in graphene lattice, which brings some interesting modification to magnetic and…

Computational Physics · Physics 2019-09-10 Zhaoyong Guan , Shuang Ni , Shuanglin Hu

We study sub-surface arsenic dopants in a hydrogen terminated Si(001) sample at 77 K, using scanning tunnelling microscopy and spectroscopy. We observe a number of different dopant related features that fall into two classes, which we call…

Sodium, magnesium and aluminum adatoms, which, respectively, possess one, two and three valence electrons in terms of 3s, $3s^2$, and ($3s^2$, 3p) orbitals, are very suitable for helping us understand the adsorption-induced diverse…

Materials Science · Physics 2020-03-06 Ngoc Thanh Thuy Tran , Godfrey Gumbs , Duy Khanh Nguyen , Ming-Fa Lin

Quantum interference effects and resulting quantum corrections of the conductivity have been intensively studied in disordered conductors over the last decades. The knowledge of phase coherence lengths and underlying dephasing mechanisms…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 D. Neumaier , K. Wagner , U. Wurstbauer , M. Reinwald , W. Wegscheider , D. Weiss

Modulation photoreflectance spectroscopy and Raman spectroscopy have been applied to study the electronic- and band-structure evolution in (Ga,Mn)As epitaxial layers with increasing Mn doping in the range of low Mn content, up to 1.2%.…

Materials Science · Physics 2015-06-16 O. Yastrubchak , J. Sadowski , H. Krzyzanowska , L. Gluba , J. Zuk , J. Z. Domagala , T. Andrearczyk , T. Wosinski

We examine the adsorption of a single Ni atom on a monolayer of MgO on a Ag substrate using DFT and DFT+U computational approaches. We find that the electronic and magnetic properties vary considerably across the three binding sites of the…

Materials Science · Physics 2015-06-18 Oliver R. Albertini , Amy Y. Liu , Barbara A. Jones

(Ga,Mn)As is a paradigm diluted magnetic semiconductor which shows ferromagnetism induced by doped hole carriers. With a few controversial models emerged from numerous experimental and theoretical studies, the mechanism of the…