Related papers: Vacancy complexes with oversized impurities in Si …
The vertical shear instability (VSI) is a robust and potentially important phenomenon in irradiated protoplanetary disks (PPDs), yet the mechanism by which it saturates remains poorly understood. Global simulations suggest that the…
Electron spins in Si/SiGe quantum wells suffer from nearly degenerate conduction band valleys, which compete with the spin degree of freedom in the formation of qubits. Despite attempts to enhance the valley energy splitting…
We study the inhomogeneous abelian Higgs model with a magnetic impurity. The vacuum configuration of the symmetry-broken phase is not simply the constant Higgs vacuum but is a nontrivial function of spatial coordinates, satisfying the…
In this work, a Maxwell-Higgs system is coupled to a neutral scalar field that engenders $Z_2$ symmetry. At critical coupling, the resulting field equations may be identified with those of a Maxwell-Higgs model doped with an impurity whose…
The silicon vacancy is a prominent intrinsic defect of cubic SiC (3C-SiC) to which much effort has been devoted so far, experimentally and theoretically. We calculate its properties using the GW approximation that does not suffer from the…
We study the impurity effects on the Caroli-de Gennes-Matricon (CdGM) states, particularly on the level spacings in a vortex core in topological s-wave superconductor (SC) by two means, numerically and analytically. The topological s-wave…
We present a first-principles study of a carbon-nitrogen (CN) impurity complex in silicon as an isoelectronic alternative to the T center [(CCH)$_\mathrm{Si}$]. The latter has been pursued for applications in quantum information science,…
We study theoretically large metal clusters containing vacancies. We propose an approach, which combines the Kohn-Sham results for monovacancy in a bulk of metal and analytical expansions in small parameters $c_{v}$ (relative concentration…
Nanoscale semiconductors with isolated spin impurities have been touted as promising materials for their potential use at the intersection of quantum, spin, and information technologies. Electron paramagnetic resonance (EPR) studies of…
The specific configurations of hydrogen impurities in SrTiO3 (STO) are still ambiguous. In this study, we systematically investigate the configurations and vibrational properties of hy-drogen impurities in cubic STO using first-principles…
Two electronic channels competing to screen a single impurity spin, as in the two-channel Kondo model, are expected to generate a ground state with nontrivial entanglement structure. We exploit a spin-chain representation of the two-channel…
The electronic and magnetic properties of a neutral substitutional nickel (Ni$_s^0$) impurity in diamond are studied using density functional theory in the generalized gradient approximation. The spin-one ground state consists of two…
We use scanning tunneling microscopy (STM) to study magnetic Fe impurities intentionally doped into the high-temperature superconductor Bi$_{2}$Sr$_{2}$Ca$_{2}$CuO$_{8+\delta}$. Our spectroscopic measurements reveal that Fe impurities…
Candidate systems for topologically-protected qubits include two-dimensional electron gases (2DEGs) based on heterostructures exhibiting a strong spin-orbit interaction (SOI) and superconductivity via the proximity effect. For InAs- or…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
Electron spin qubits in Si/SiGe quantum wells are limited by the small and variable energy separation of the conduction band valleys. While sharp quantum well interfaces are pursued to increase the valley splitting energy deterministically,…
Present work investigates the structural, electronic and magnetic properties of wurtzite (0001) GaN nanowires (NWs) doped with Gd and point defects by employing the GGA+U approximation. We find that Ga vacancies (VGa) exhibit lower…
A two-dimensional superconductor (SC) on surfaces of topological insulators (TIs) is a mixture of s-wave and helical p-wave components when induced by s-wave interactions, since spin and momentum are correlated. On the basis of the…
Phase selection in Ti-Zr-Hf-Al high-entropy alloys was investigated by in-situ high-energy X$-$ray diffraction, single-crystal X$-$ray diffraction, and density-functional theory based electronic-structure methods that address disorder and…
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…