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We investigate theoretically the effect of nearby As (arsenic) vacancies on the magnetic properties of substitutional Mn (manganese) impurities on the GaAs (110) surface, using a microscopic tight-binding model which captures the salient…

Materials Science · Physics 2016-11-28 M. R. Mahani , A. H. MacDonald , C. M. Canali

Motivated by recent STM experiments, we present a theoretical study of the electronic and magnetic properties of the Mn-induced acceptor level obtained by substituting a single Ga atom in the (110) surface layer of GaAs or in one of the…

Materials Science · Physics 2010-01-28 T. O. Strandberg , C. M. Canali , A. H. MacDonald

We present a computational study of individual and pairs of substitutional Mn impurities on the (110) surface of GaAs samples based on density functional theory. We focus on the anisotropy properties of these magnetic centers and their…

Strongly Correlated Electrons · Physics 2011-08-29 M. Fhokrul Islam C. M. Canali

The discovery of ferromagnetism in Mn doped GaAs [1] has ignited interest in the development of semiconductor technologies based on electron spin and has led to several proof-of-concept spintronic devices [2-4]. A major hurdle for realistic…

Materials Science · Physics 2009-11-11 Dale Kitchen , Anthony Richardella , Jian-Ming Tang , Michael E. Flatte , Ali Yazdani

In this paper we calculate exchange interaction constant between manganese ion inner electronic $d$-shell and GaAs valence band bounded hole using their microscopic multiparticle wave functions. We reveal its parametric dependence on…

Materials Science · Physics 2023-05-17 I. V. Krainov , K. A. Baryshnikov , A. A. Karpova , N. S. Averkiev

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…

We study energetic, magnetic, and electronic properties of diluted substitutional Mn-pairs on the reconstructed $(001)$ GaAs surfaces. The studies are based on first-principles calculations in the framework of the density functional theory.…

Materials Science · Physics 2017-03-29 M. Birowska , C. Śliwa , J. A. Majewski

We study the magnetic properties of metallic GaMnAs. We calculate the effective RKKY interaction between Mn spins using several realistic models for the valence band structure of GaAs. We also study the effect of positional disorder of the…

Materials Science · Physics 2007-05-23 Gregory A. Fiete , Gergely Zarand , Boldizsar Janko , Pawel Redlinski , C. Pascu Moca

The local density of states of Mn-Mn pairs in GaAs is mapped with cross-sectional scanning tunneling microscopy and compared with theoretical calculations based on envelope-function and tight-binding models. These measurements and…

We utilize a single atom substitution technique with spectroscopic imaging in a scanning tunneling microscope (STM) to visualize the anisotropic spatial structure of magnetic and non-magnetic transition metal acceptor states in the GaAs…

Materials Science · Physics 2009-09-30 Anthony Richardella , Dale Kitchen , Ali Yazdani

We report on the micro-photoluminescence spectroscopy of InAs/GaAs quantum dots (QD) doped by a single Mn atom in a magnetic field either longitudinal or perpendicular to the optical axis. In both cases the spectral features of positive…

Materials Science · Physics 2015-05-14 Olivier Krebs , Emile Benjamin , Aristide Lemaître

The recently reported Rutherford backscattering and particle-induced X-ray emission experiments have revealed that in low-temperature MBE grown GaMnAs a significant part of the incorporated Mn atoms occupies tetrahedral interstitial sites…

Materials Science · Physics 2009-11-07 J. Blinowski , P. Kacman

Using an advanced tight-binding approach, we estimate the anisotropy of the tunnel transmission associated with the rotation of the 5/2 spin of a single Mn atom forming an acceptor state in GaAs and located near an AlGaAs tunnel barrier.…

Mesoscale and Nanoscale Physics · Physics 2016-06-27 M. O. Nestoklon , O. Krebs , H. Jaffrès , S. Ruttala , J. -M. George , J. -M. Jancu , P. Voisin

We present ab initio calculations of total energies of Mn atoms in various interstitial positions. The calculations are performed by the full-potential linearized plane-wave method. The minimum energy is found for tetrahedral T(As4)…

Materials Science · Physics 2009-11-10 J. Masek , F. Maca

A ferromagnetic coupling between localized Mn spins was predicted in a series of \textit{ab initio} and tight binding calculations and experimentally verified for the dilute magnetic semiconductor Ga$_{1-x}$Mn$_x$N. In the limit of small Mn…

Materials Science · Physics 2020-12-30 D. Sztenkiel , K. Gas , J. Z. Domagala , D. Hommel , M. Sawicki

Combining density-functional theory calculations and microscopic tight-binding models, we investigate theoretically the electronic and magnetic properties of individual substitutional transition-metal impurities (Mn and Fe) positioned in…

Materials Science · Physics 2014-04-18 M. R. Mahani , M. Fhokrul Islam , A. Pertsova , C. M. Canali

We present results of tight-binding spin-dynamics simulations of individual and pairs of substitutional Mn impurities in GaAs. Our approach is based on the mixed quantum-classical scheme for spin dynamics, with coupled equations of motions…

Mesoscale and Nanoscale Physics · Physics 2014-12-04 M. R. Mahani , A. Pertsova , C. M. Canali

An individual Mn acceptor in GaAs is mapped by Cross-sectional Scanning Tunneling Microscopy (X-STM) at room temperature and a strongly anisotropic shape of the acceptor state is observed. An acceptor state manifests itself as a cross-like…

Materials Science · Physics 2007-05-23 A. M. Yakunin , A. Yu. Silov , P. M. Koenraad , J. H. Wolter , W. Van Roy , J. De Boeck

Starting from microscopic and symmetry considerations, we derive the Hamiltonian describing the exchange interaction between the localized Mn spins and the valence band holes in $Ga_{1-x}Mn_x As$. We find that due to the strong spin-orbit…

Strongly Correlated Electrons · Physics 2007-05-23 Gergely Zarand , Boldizsar Janko

First principles density functional theory based calculations have been carried out to predict the effects of Mn replacement by Fe and Cr on electronic as well as magnetic properties of Pt$_{2}$MnGa as well as Ni$_{2}$MnGa. All the…

Materials Science · Physics 2017-08-02 Tufan Roy , Aparna Chakrabarti
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