Related papers: EL2--like defects in InP nanowires

The electronic-structural modulations of Ir$_{1-x}$Pt$_x$Te$_2$ (0 $\leqq x\leqq$ 0.12) have been examined by resonant elastic x-ray scattering (REXS) and resonant inelastic x-ray scattering (RIXS) techniques at both the Ir and Te edges.…

We study current flow around a density inhomogeneity in a two-dimensional electron gas in the presence of a strong magnetic field. The inhomogeneity is parametrized by a power-law tail with an exponent $\beta > 2$. We show that current and…

We report on a detailed study of the intensity dependent optical properties of individual GaN/AlN Quantum Disks (QDisks) embedded into GaN nanowires (NW). The structural and optical properties of the QDisks were probed by high spatial…

Magnetism-induced negative thermal expansion (NTE) observed in inverse perovskite antiferromagnets Mn3AN (A=Zn, Ga, etc.) is theoretically studied by a classical spin model with competing bond-length-dependent exchange interactions. We…

We study the electric dipole polarizability $\alpha_D$ in ${}^{208}$Pb based on the predictions of a large and representative set of relativistic and non-relativistic nuclear mean field models. We adopt the droplet model as a guide to…

The modification of the potential-energy surface (PES) of H_2 dissociation over Pd(100) as induced by the presence of a (2x2) S adlayer is investigated by density-functional theory and the linear augmented plane wave method. It is shown…

This research is a theoretical study that simulates the volume expansion of a prelithiated silicon nanowire during lithium ion insertion and the application of an electric current. Utilizing density functional theory (DFT) the ground state…

We reported on the observation of extremely high-density ($>10^{14}$cm$^{-2}$) 2D electron gas in N-polar AlGaN/GaN heterostructures grown on sapphire substrates. Due to introducing the GaN/AlN superlattice (SL) back barrier between the GaN…

We discuss the applicability of the pseudopotential-like self-interaction correction (pSIC) to the study of defect energetics and electronic structure of In2O3. Our results predict that substitutional (at oxygen sites) and interstitial (at…

The ELYO functional proposed in [M. Grasso, D. Lacroix, and C. J. Yang, Phys. Rev. C \textbf{95}, 054327 (2017)] belongs to the family of energy-density functionals (EDFs) inspired by effective-field theories (EFTs) and constrained by…

In this study nanoscale structure and associated energy dissipation behavior of nanoparticulates of tungsten disulphide (WS2) and nanoparticles of gold (Au) were investigated by advanced scanning probe and electron microscopy techniques.…

We use angle-resolved photoemission spectroscopy to study twinned and detwinned iron pnictide compound NaFeAs. Distinct signatures of electronic reconstruction are observed to occur at the structural (TS) and magnetic (TSDW) transitions. At…

A campaign of intermediate energy (300-450 MeV/u) proton-induced nucleon knockout measurements in inverse kinematics has been recently undertaken at the R 3 B/LAND setup at GSI. We present a systematic theoretical analysis of these data…

Partition Density Functional Theory (P-DFT) is a density embedding method that partitions a molecule into fragments by minimizing the sum of fragment energies subject to a local density constraint and a global electron-number constraint. To…

Background: Nuclear deformation provides a crucial characteristic of nuclear structure. Conventionally, the quadrupole deformation length of a nucleus, $\delta_{2}$, has often been determined based on a macroscopic model through a deformed…

The [111]-oriented InAs/GaSb and GaSb/InAs core-shell nanowires have been studied by the $8\times 8$ Luttinger-Kohn $\vec{k}\cdot\vec{p}$ Hamiltonian to search for non-vanishing fundamental gaps between inverted electron and hole bands. We…

Pt-Al and Pt-Y-Al thin film electrodes on yttria-stabilised zirconia electrolytes were prepared by dealloying of co-sputtered Pt-Al or Pt-Y-Al films. The selective dissolution of Al from the Pt-alloy compound causes the formation of a…

We report the anomalous breakdown in the scaling of the microscopic magnetic susceptibility, as measured via the ${}^{31}$P nuclear magnetic resonance (NMR) shift $K$, with the bulk magnetic susceptibility $\chi$ in the paramagnetic state…

The structure and properties of vacancies in a 2 nm Si nano-crystal are studied using a real space density functional theory/pseudopotential method. It is observed that a vacancy's electronic properties and energy of formation are directly…

P mono-doped and (P, N) co-doped ZnO are investigated by the first-principles calculations. It is found that substitutive P defect forms a deep acceptor level at O site (PO) and it behaves as a donor at Zn site (PZn), while interstitial P…