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We describe a Monte Carlo simulation study of the magnetic phase diagram of diluted magnetic semiconductors doped with shallow impurities in the low concentration regime. We show that because of a wide distribution of interaction strengths,…
Transition metal dichalcogenide monolayers such as MoSe2,MoS2 and WSe2 are direct bandgap semiconductors with original optoelectronic and spin-valley properties. Here we report spectrally sharp, spatially localized emission in monolayer…
We report 57Fe Mossbauer spectral results in pure and doped Ba(Fe1-xNix)2As2 with x=0.01 and 0.03. We show that all these materials present a first-order magnetic transition towards a magnetically ordered state. In the doped compounds, a…
The strong spin-orbit coupling and the broken inversion symmetry in monolayer transition metal dichalcogenides (TMDs) results in spin-valley coupled band structures. Such a band structure leads to novel applications in the fields of…
The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene are investigated using density functional theory (DFT). The effect of doping is studied by tuning dopant concentrations as well as examining varied…
The influence of atomic vacancy defects at different concentrations on electronic properties of MoS$_2$ and WS$_2$ monolayers is studied by means of Slater-Koster tight-binding model with non-orthogonal $sp^3d^5$ orbitals and including the…
The spin structure in a magnetic dot, which is an example of a quantum few-body system, is studied as a function of exchange coupling strength and dot size with in the semiclassical approximation on a discrete lattice. As the exchange…
The dilute magnetic semiconductor (Ga,Mn)As is ferromagnetic in accordance with the p-d Zener model. Hole density function (HDF) localization has been previously studied by means of the density functional theory (DFT) and non-standard DFT…
Many recent studies show that superconductivity not only exists in atomically thin monolayers but can exhibit enhanced properties such as higher transition temperature and stronger critical field. Nevertheless, besides being air unstable,…
Two-dimensional (2D) transition metal di-chalcogenide layers with high electrical conductivity and spin-orbit coupling (SOC) can find huge potential in spintronic devices. With limited success of 2D spin Hall material development, we…
In the present work, we study the magnetic properties of the NbS2 monolayer by first-principles calculations. The transition metal dichalcogenides (TMDC) are a family of laminar materials presenting exciting properties such as charge…
We study the transport properties of deeply scaled monolayer MoS2 n-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic quantum transport simulations with an atomistic tight-binding Hamiltonian…
We study the spin and charge dynamics of electrons in n-doped II--VI semiconductor multiple quantum wells when one or more quantum wells are doped with Mn. The interplay between strongly nonlinear inter-well charge transport and the large…
Dopants can tune the performance of MoS2 in various applications, but use of molecular dynamics simulations for doped MoS2 materials discovery is limited by the lack of multi-dopant interatomic potentials. Universal machine learning…
The electronic and magnetic properties of a new diluted magnetic semiconductor (DMS) Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$, which is isostructural to so-called 122-type Fe-based superconductors, are investigated by x-ray…
Magnetic properties of a one-dimensional frustrated quantum spin system Rb2Cu2Mo3O12 is investigated by the muon spin relaxation (muSR) technique. Although this system shows an incommensurate spin correlation in neutron scattering, it has…
Mott state in 1T-TaS2 is predicted to host quantum spin liquids (QSL). However, its insulating mechanism is controversial due to complications from interlayer coupling. Here, we study the Mott state in monolayer 1T-NbSe2, an electronic…
Alloying enables engineering of the electronic structure of semiconductors for optoelectronic applications. Due to their similar lattice parameters, the two-dimensional semiconducting transition metal dichalcogenides of the MoWSeS group…
Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Binding method in conjunction with the Green's Function…
We report results of nuclear magnetic resonance (NMR) experiments in SrCu2(BO3)2, a quasi two-dimensional spin system with a singlet ground state. When magnetic field is applied along the c-axis, each of the quadrupole split Cu resonance…