相关论文: Self-compensation due to point defects in Mg-doped…
Electrical properties of contact to p-type nitride semiconductor devices, based on gallium nitride were simulated by ab initio and by drift-diffusion calculations. The contact electric properties are shown to be dominated by electron…
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 investigate the anomalous metal arising by hole doping the Mott insulating state of the periodic Anderson model. Using Dynamical Mean-Field Theory we show that, as opposed to the electron-doped case, in the hole-doped regime the…
Zinc phosphide (Zn3P2) has had a long history of scientific interest largely because of its potential for earth-abundant photovoltaics. To realize high-efficiency Zn3P2 solar cells, it is critical to understand and control point defects in…
The self-interaction corrected density-functional calculations are performed for Re impurities and their pairs in silicon. Rhenium ions form in the host crystal not very tight pairs, with impurities separated by one Si atom or by a distance…
We investigate how chemical substitution reshapes the energetics of twin formation in non-modulated (NM) Ni-Mn-Ga martensite. Using density functional theory, we compute generalized planar fault energy (GPFE) curves for the…
A system of interacting, identical fermions described by standard Landau Fermi-liquid (FL) theory can experience a rearrangement of its Fermi surface if the correlations grow sufficiently strong, as occurs at a quantum critical point where…
We study the Curie temperature and hole density of (Ga,Mn)As while systematically varying the As-antisite density. Hole compensation by As-antisites limits the Curie temperature and can completely quench long-range ferromagnetic order in…
Being a true two-dimensional crystal, graphene has special properties. In particular, a point-like defect in graphene may have effects in the long range. This peculiarity questions the validity of using a supercell geometry in an attempt to…
We have fabricated electric double-layer field-effect devices to electrostatically dope our active materials, either $x$=0.015 Ga$_{1-x}$Mn$_x$As or $x$=3.2$\times10^{-4}$ Ga$_{1-x}$Be$_x$As. The devices are tailored for interrogation of…
Ni-Mn-Ga is interesting as a prototype of a magnetic shape-memory alloy showing large magnetic field induced strains. We present here results for the magnetic ordering of Mn-rich Ni-Mn-Ga alloys based on both experiments and theory.…
In this study the MOCVD growth and electrical properties of N-polar modulation doped p-AlGaN/GaN superlattices (SLs) were investigated. Hole sheet charge density and mobility were studied as a function of the concentration of the p-type…
Preparation of solid solutions represents an effective means to improve the photocatalytic properties of semiconductor-based materials. Nevertheless, the effects of site-occupancy disorder on the mixing stability and electronic properties…
Hexagonal MnTe has emerged as a prototypical g-wave altermagnet, hosting time-reversal symmetry breaking in momentum space despite a vanishing net magnetization. While this symmetry breaking theoretically allows for an intrinsic anomalous…
The outstanding properties of high-purity germanium (HPGe) detectors, such as excellent energy resolution, high energy sensitivity, and a low background-to-signal ratio, make them essential and ideal candidates for detecting particle…
We have studied the electronic and local magnetic structure of the hydrogen interstitial impurity at the tetrahedral site in diamond-structure Ge, using an empirical tight binding + dynamical mean field theory approach because within the…
It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high $T_{\rm c}$ cuprates. The doping effect, including the electron-hole doping…
B-gallium oxide (B-Ga2O3) is of high interest for power electronics because of its unique combination of melt growth, epitaxial growth, n-type dopability, ultrawide bandgap, and high critical field. Optimization of crystal growth processes…
We consider an Anderson impurity model in which the locally correlated orbital is coupled to a host with a gapped density of states. Single-particle dynamics are studied, within a perturbative framework that includes both explicit…
We provide experimental evidence that the upper limit of ~110 K commonly observed for the Curie temperature T_C of Ga(1-x)Mn(x)As is caused by the Fermi-level-induced hole saturation. Ion channeling, electrical and magnetization…