Related papers: Mapping the wavefunction of transition metal accep…
A microscopic Hamiltonian for interacting manganese impurities in diluted magnetic semiconductors (DMS) is derived. It is shown that in p -type III-V DMS the indirect exchange between Mn impurities has similarities with the Zener mechanism…
Density-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site Mn_Ga versus the interstitial site Mn_I. The splitting of the…
We report on the magnetic and the electronic properties of the prototype dilute magnetic semiconductor Ga$_{1-x}$Mn$_x$As using infrared (IR) spectroscopy. Trends in the ferromagnetic transition temperature $T_C$ with respect to the IR…
The spin orientation of a magnetic dopant in a zincblende semiconductor strongly influences the spatial structure of an acceptor state bound to the dopant. The acceptor state has a roughly oblate shape with the short axis aligned with the…
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…
In a recent Letter, Zhao et al. [1] reported the origin of quasi-one-dimensional metal-insulator (MI) transitions in compound semiconductor surfaces. Based on a density-functional theory (DFT) calculation within the generalized gradient…
We present the first scanning tunneling microscopy (STM) images of hydrogenic acceptor wave functions in silicon. These acceptor states appear as square ring-like features in STM images and originate from near-surface defects introduced by…
The high-spectral-resolution spectroscopic studies of the energy gap evolution, supplemented with electronic, magnetic and structural characterization, show that the modification of the GaAs valence band caused by Mn incorporation occurs…
We prove that scanning tunneling microscopy (STM) images of sub-surface Mn atoms in GaAs are formed by hybridization of the impurity state with intrinsic surface states. They cannot be interpreted in terms of bulk-impurity wavefunction…
We investigate the properties of a single substitutional Mn impurity and its associated acceptor state on the (111) surface of Bi$_2$Se$_3$ topological insulator. Combining ab initio calculations with microscopic tight-binding modeling, we…
One of the basic optoelectronic characteristics is the absorption of any optoelectronic device or material. We present the characteristics of pure GaAs and the deviation of ideal spectra. Due to crystal defects, vacancies, impurities, etc.,…
We have investigated STM images of the (110) cross-sectional surface of Mn-doped GaAs using first principles total-energy pseudopotential calculations. We focus on configurations with Mn interstitial in the uppermost surface layers. In…
The properties of diluted Ga$_{1-x}$Mn$_x$As are calculated for a wide range of Mn concentrations within the local spin density approximation of density functional theory. M\"ulliken population analyses and orbital-resolved densities of…
The diluted (Ga,Mn)As became a model ferromagnetic semiconductor, however there is still a disagreement on the source of its magnetism. The divergences arise from the results indicating that the holes mediated ferromagnetism reside in the…
The layers of a high-temperature novel GaAs:Fe diluted magnetic semiconductor (DMS) with an average Fe content up to 20 at. % were grown on (001) i-GaAs substrates using a pulsed laser deposition in a vacuum. The transmission electron…
The sub-gap density of states of amorphous indium gallium zinc oxide ($a$-IGZO) is obtained using the ultrabroadband photoconduction (UBPC) response of thin-film transistors (TFTs). Density functional theory simulations classify the origin…
A nearly-free-electron (NFE) model to describe STM spectroscopy of (111) metal surfaces with Kondo impurities is presented. Surface states are found to play an important role giving a larger contribution to the conductance in the case of…
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.…
We present an extensive density functional theory study of the electronic, magnetic and transport properties of GaAs and AlAs digital ferromagnetic heterostructures. These can be obtained by $\delta$-doping with Mn the GaAs layers of a…
The magneto-optical properties of the ferromagnetic semiconductor Ga$_{1-x}$Mn$_{x}$As are studied within the dynamical mean-field approximation (DMFA). A material-specific multiband $sp^{3}$ tight-binding Hamiltonian is employed for the…