相关论文: Lattice constant in diluted magnetic semiconductor…
We apply the density-functional technique to determine the lattice constant of GaAs supercells containing Mn_Ga, Mn_int, and As_Ga impurities, and use a linear interpolation to describe the dependence of the lattice constant a of…
We study the influence of main compensating defects: As antisites and Mn interstitials, known to occur in GaMnAs ferromagnetic semiconductor, on its structural properties. Our experimental results show that there is a balance between Mn…
We use the density-functional theory to calculate the total energy of mixed crystals (Ga,Mn)As with a small concentration of various donors. We find that the formation energy of Mn depends strongly on the partial concentrations of Mn in the…
The addition of transition metals (TM) to III-V semiconductors radically changes their electronic, magnetic and structural properties. In contrast to the conventional semiconductor alloys, the lattice parameter in magnetic semiconductor…
We perform high resolution X-ray diffraction on GaMnAs mixed crystals as well as on GaMnAs/GaAs and GaAs/MnAs superlattices for samples grown by low temperature molecular beam epitaxy under different growth conditions. Although all samples…
We report on measurements of the crystal structure and hole density in a series of as-grown and annealed GaMnAs samples. The measured hole densities are used to obtain the fraction of incorporated Mn atoms occupying interstitial and…
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 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…
High mobility of twin boundaries in modulated martensites of Ni-Mn-Ga-based ferromagnetic shape memory alloys holds a promise for unique magnetomechanical applications. This feature has not been fully understood so far, and in particular it…
We investigate the compositional dependence of the total energy of the mixed crystals (Ga,Mn)As co-doped with As, Sn, and Zn. Using the ab initio LMTO-CPA method we find a correlation between the incorporation of acceptors (Mn, Zn) and…
We have grown the ferromagnetic semiconductor GaMnAs containing up to 10% Mn by migration enhanced epitaxy at a substrate temperature of 150^oC. The alternate supply of As2 molecules and Ga and Mn atoms made it possible to grow single…
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…
In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting…
The effect of the inclusion of As antisites in the diluted magnetic semiconductor (Ga,Mn)As is studied within density functional theory in the local spin density approximation. In the case of homogeneous distribution of Mn ions we find that…
A combination of high-resolution x-ray diffraction and a new technique of x-ray standing wave uorescence at grazing incidence is employed to study the structure of (Ga,Mn)As diluted magnetic semiconductor and its changes during post-growth…
The effects of various point defects and lattice distortions on the structural, electronic, and magnetic properties of Co$_2$MnAl alloy are investigated using density functional theory calculations. For the point defects, six types of…
Tailoring and controlling magnetic properties is an important factor for materials design. Here, we present a case study for Ni-based Heusler compounds of the type Ni$_2$YZ with Y = Mn, Fe, Co and Z = B, Al, Ga, In, Si, Ge, Sn based on…
We consider hypothetical Ga7MnAs8, Ga16MnAs16, and Ga14Mn3As16 crystals with Mn in a substitutional, interstitial, and both positions. Spin-polarized FPLAPW calculations were used to obtain their electronic structure. We show that the…
We present a comprehensive investigation of the influence of Ru concentration on the lattice parameters, atomic magnetic moments, electronic structure, and magnetic anisotropy energy of the full Heusler L2$_1$-type Mn$_2$Ru$_{1-x_p}$Ga…
The structure, lattice dynamics and mechanical properties of the magnesium hydroxide have been investigated with static density functional theory calculations as well as \it {ab initio} molecular dynamics. The hypothesis of a superstructure…