Related papers: Mapping the wavefunction of transition metal accep…
We report tests of various density functionals for ferromagnetic, Fe, Co and Ni with a focus on characterizing the behavior of the so-called strongly constrained and appropriately normed (SCAN) functional. It is found that SCAN is closer in…
We present a microscopic theory of the long-wavelength magnetic properties of the ferromagnetic diluted magnetic semiconductor (Ga,Mn)As. Details of the host semiconductor band structure, described by a six-band Kohn-Luttinger Hamiltonian,…
In order to study the novel gas detection or sensing applications of gallium nitride monolayer (GaN-ML), we mainly focused on the structural, energetic, electronic and magnetic properties of toxic gas molecules (CO, NO) adsorbed on…
We use Scanning Gate Microscopy to study electron transport through an open, gate-defined resonator in a Ga(Al)As heterostructure. Raster-scanning the voltage-biased metallic tip above the resonator, we observe distinct conductance…
Quantum transport in disordered ferromagnetic (III,Mn)V semiconductors is studied theoretically. Mesoscopic wires exhibit an Anderson disorder-induced metal-insulator transition that can be controlled by a weak external magnetic field. This…
Using first-principles total-energy methods, we investigate Jahn-Teller distortions in III-V dilute magnetic semiconductors, GaAs:Mn and GaN:Mn in the cubic zinc blende structure. The results for an isolated Mn impurity on a Ga site show…
Broadband ferromagnetic resonance is measured in single crystalline Fe films of varying thickness sandwiched between MgO layers. An exhaustive magnetic characterization of the films (exchange constant, cubic, uniaxial and surface…
The semiconducting behaviour and optoelectronic response of gallium nitride is governed by point defect processes, which, despite many years of research, remain poorly understood. The key difficulty in the description of the dominant…
Applications like high density information storage, neuromorphic computing, nanophotonics, etc. require ultra-thin electronic devices which can be controlled with applied electric field. Of late, atomically thin two-dimensional (2D)…
Ultra-thin FeAs is of interest both as the active component in the newly identified pnictide superconductors, and in spintronic applications at the interface between ferromagnetic Fe and semiconducting GaAs. Here we use first-principles…
We report on a monotonic reduction of Curie temperature in dilute ferromagnetic semiconductor (Ga,Mn)As upon a well controlled chemical-etching/oxidizing thinning from 15 nm down to complete removal of the ferro- magnetic response. The…
The understanding of various types of disorders in atomically thin transition metal dichalcogenides (TMDs), including dangling bonds at the edges, chalcogen deficiencies in the bulk, and charges in the substrate, is of fundamental…
We observe a dc voltage peak at ferromagnetic resonance (FMR) in samples consisting of a single ferromagnetic (FM) layer grown epitaxially on the $\mathit{n-}$GaAs (001) surface. The FMR peak is detected as an interfacial voltage with a…
The contrasting groundstates of isoelectronic and isostructural FeSi and FeGe can be explained within an extended local density approximation scheme (LDA+U) by an appropriate choice of the onsite Coulomb repulsion, $U$ on the Fe-sites. A…
The adsorption of MgO molecules on a Fe(001) surface was studied using density functional theory (DFT) and projector augmented wave methods. The energetically most favored configurations for different adsorption sites considered were…
Theoretical and experimental investigation of the electronic and magnetic structure of transition metal atoms on an insulating interface with a metallic substrate at low temperatures is quite challenging. In this paper, we show a density…
An abrupt first-order metal-insulator transition (MIT) as a jump of the density of states is observed for Be doped GaAs, which is known as a semiconductor, by inducing very low holes of approximately n_p=5x10^{14} cm^{-3} into the valence…
The nature of the pseudogap state is widely believed as a key to understanding the pairing mechanism underlying unconventional superconductivity. Over the past two decades, significant efforts have been devoted to searching for spontaneous…
Low-temperature scanning tunneling spectroscopy of magnetic and non-magnetic metal atoms on Ag(111) and on Cu(111) surfaces reveals the existence of a common electronic resonance at an energy below the binding energies of the surface…
The structure and dynamical properties of the Fe$_3$Si/GaAs(001) interface are investigated by density functional theory and nuclear inelastic scattering measurements. The stability of four different atomic configurations of the…