相关论文: Structural and magnetic properties of Mn-doped GaA…

First principles total-energy pseudopotential calculations have been performed to investigate STM images of the (110) cross-sectional surface of Mn-doped GaAs. We have considered configurations with Mn in interstitial positions in the…

We present a combined experimental and computational study of the (110) cross-sectional surface of Mn $\delta$-doped GaAs samples. We focus our study on three different selected Mn defect configurations not previously studied in details,…

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…

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…

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…

The structural, electronic, and magnetic properties of (100)-oriented Co$_{2}$MnAl/MgO and Co$_{2}$MnAl/GaAs heterostructures are investigated using plane-wave pseudopotential density functional theory. For the Co$_{2}$MnAl/MgO, CoCo-MgMg,…

Structural investigation of as-grown as well as annealed Ga(1-x)Mn(x)As epilayers was carried out using high resolution X-ray diffraction (XRD) measurements for a wide range of Mn concentrations (0.027<=x<=0.083), with special attention on…

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…

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…

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…

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…

Magnetic properties of thin (Ga,Mn)As layers improve during annealing by out-diffusion of interstitial Mn ions to a free surface. Out-diffused Mn atoms participate in the growth of a Mn-rich surface layer and a saturation of this layer…

This work reports theoretical and experimental study of the X-ray absorption near-edge structure (XANES) at the Mn K-edge in (Ga,Mn)As diluted magnetic semiconductors. The spectra have been calculated from the first-principles using FLAPW…

The magnetic and transport properties of (GaMn)As are known to be influenced by postgrowth annealing, and it is generally accepted that these modifications are due to outdiffusion of Mn interstitials. We show that the annealing-induced…

Density functional calculations with a large unit cell have been conducted to investigate adsorption, segregation and magnetization of Mn monomer on GaAs(110). The Mn adatom is rather mobile along the trench on GaAs(110), with an energy…

Atomic Force Microscopy and Grazing incidence X-ray diffraction measurements have revealed the presence of ripples aligned along the $[1\bar{1}0]$ direction on the surface of (Ga,Mn)As layers grown on GaAs(001) substrates and buffer layers,…

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 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.…

While most calculations on the properties of the ferromagnetic semiconductor GaAs:Mn have focussed on isolated Mn substituting the Ga site (Mn$_{Ga}$), we investigate here whether alternate lattice sites are favored and what the magnetic…

We present a method for the determination of the local concentrations of interstitial and substitutional Mn atoms and As antisite defects in GaMnAs. The method relies on the sensitivity of the structure factors of weak reflections to the…