Related papers: Vacancy complexes with oversized impurities in Si …
We report on the behavior of Ge-Ge, Ge-Sn, Sn-Sn like and disorder-activated vibrational modes in GeSn semiconductors investigated using Raman scattering spectroscopy. By using an excitation wavelength close to E1 gap, all modes are clearly…
Investigation of charged defects is necessary to understand the properties of semiconductors. While density functional theory calculations can accurately describe the relevant physical quantities, these calculations increase the…
We study the role of impurities in a two-band superconductor, and elucidate the nature of the recently predicted transition from s_{+-} state to s_{++} state induced by interband impurity scattering. Using a Ginzburg-Landau theory, derived…
The development of novel quantum bits is key to extend the scope of solid-state quantum information science and technology. Using first-principles calculations, we propose that large metal ion - vacancy complexes are promising qubit…
Two-dimensional (2D) materials have emerged as promising platforms for quantum technologies and optoelectronics, with defects playing a crucial role in their properties. We present a comprehensive density functional theory study of silicon…
The stability and formation mechanism of the defects relevant to silicon and carbon vacancies at the 4H-SiC(000$\bar{1}$)/SiO$_2$ interface after wet oxidation are investigated by first-principles calculation based on the density functional…
We study an Anderson impurity in a semiconducting host using the density matrix renormalization group technique. We use the $U=0$ one--dimensional Anderson Hamiltonian at half filling as the semiconducting host since it has a hybridization…
Motivated by the recent discovery of noncentrosymmetric superconductors, such as $CePt_{3}Si$, $CeRhSi_{3}$ and $CeIrSi_{3}$, we investigate theoretically the impurity resonance states with coexisting $s$- and p-wave pairing symmetries. Due…
Density-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site Mn_Ga versus the interstitial site Mn_I. The splitting of the…
We demonstrate on the basis of ab initio simulations how passivated semiconductor surfaces can be exploited to study bulklike interaction properties and wave functions of magnetic impurities on the atomic scale with conventional and…
We consider the effects of impurities on topological insulators and superconductors. We start by identifying the general conditions under which the eigenenergies of an arbitrary Hamiltonian H belonging to one of the Altland-Zirnbauer…
The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy…
We investigate the topological properties of multiple exceptional points in non-Hermitian two-level systems, emphasizing vorticity as a topological invariant arising from complex energy structures. We categorize EP pairs as fundamental…
Bound states in superconductors are expected to exhibit a spatially resolved electron-hole asymmetry which is the hallmark of their quantum nature. This asymmetry manifests as oscillations at the Fermi wavelength, which is usually tiny and…
Using ab-initio calculations based on density functional theory, we investigate the effects of vacancies on the electronic and magnetic properties of zigzag SiC nanoribbons (Z-SiCNR). Single (V_C and V_Si) and double (V_SiV_Si and V_SiV_C)…
We study the electronic structure near impurities in the one-dimensional chains of YBa$_2$Cu$_3$O$_{6+x}$. Assuming chain superconductivity below $T_c$ due to a proximity coupling, we show that only a magnetic impurity induces resonance…
We have undertaken a study of diluted magnetic semiconductors $Ga_{1-x}Mn_{x}N$ and $Ga_{1-x}Cr_{x}N$ with $x=0.0625, 0.125$, using the all electron linearized augmented plane wave method (LAPW) for different configurations of Mn as well as…
Surface probes such as scanning tunneling microscopy (STM) have detected complex patterns at the nanoscale, indicative of electronic inhomogeneity, in a variety of high temperature superconductors. In cuprates, the pattern formation is…
Identification of microscopic configuration of point defects acting as quantum bits is a key step in the advance of quantum information processing and sensing. Among the numerous candidates, silicon vacancy related centers in silicon…
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…