Related papers: Stable fourfold configurations for small vacancy c…
We investigate the electronic states around a single vacancy in silicon crystal by using the Green's function approach. The triply degenerate vacancy states within the band gap are found to be extended over a large distance $\sim20 {\rm…
Defects are believed to play a fundamental role in the supersolid state of 4He. We have studied solid 4He in two dimensions (2D) as function of the number of vacancies n_v, up to 30, inserted in the initial configuration at rho = 0.0765…
We show the existence of new stable ring-like localized scalar field configurations whose stability is due to a combination of topological and nontopological charges. In that sense these defects may be called semitopological. These rings…
The electrical characterisation of classical and quantum devices is a critical step in the development cycle of heterogeneous material stacks for semiconductor spin qubits. In the case of silicon, properties such as disorder and energy…
The ground state structures of small silicon clusters are determined through exhaustive tight-binding molecular dynamics simulation studies. These simulations revealed that \Si{11} is an icosahedron with one missing cap, \Si{12} is a…
Self-assembled arrays of atomic chains on Si(111) represent a fascinating family of nanostructures with quasi-one-dimensional electronic properties. These surface reconstructions are stabilized by a variety of adsorbates ranging from alkali…
We investigate the stability of possible order parameter configurations in clean layered heterostructures of the $SFS...FS$ type, where $S$ is a superconductor and $F$ a ferromagnet. We find that for most reasonable values of the geometric…
In present work, we investigate the spectrum of several low-lying $sscq\bar{q}$ pentaquark configurations employing the constituent quark model, within which the hyperfine interaction between quarks is taken to be mediated by Goldstone…
The intermetallic $\tau_{11}$ Al$_4$Fe$_{1.7}$Si phase is of interest for high-temperature structural application due to its combination of low density and high strength. We determine the crystal structure of the $\tau_{11}$ phase through a…
Using an ab initio approach, we explore the stability of small vacancy and vacancy-chromium clusters in dilute body-centred cubic Fe-Cr alloys. To explain experimental observations described in C.D. Hardie et al., J. Nucl. Mater. 439, 33…
Due to their aperiodic nature, quasicrystals are one of the least understood phases in statistical physics. One significant complication they present in comparison to their periodic counterparts is the fact that any quasicrystal can be…
Silicon carbide has excellent physical properties, such as high stability, thermal conductivity, and mechanical strength. It has been widely used in high-power devices, catalysis, material processing, and other fields and is of great…
Positron lifetime spectroscopy was used to study native vacancy defects in semi-insulating silicon carbide. The material is shown to contain (i) vacancy clusters consisting of 4--5 missing atoms and (ii) Si vacancy related negatively…
By determining the type of all stationary points of the Gibbs free energy functional for layered superconductors in parallel magnetic fields, we establish the classification of all solutions to coupled static sine-Gordon equations for the…
The microscopic mechanism leading to stabilization of cubic and tetragonal forms of zirconia (ZrO$_2$) is analyzed by means of a self-consistent tight-binding model. Using this model, energies and structures of zirconia containing different…
The steady state packing fraction of a tapped granular bed is studied for different grain shapes via a discrete element method. Grains are monosized regular polygons, from triangles to icosagons. Comparisons with disk packings show that the…
The first-principle prediction of nanocluster stable structure is often hampered by the existence of many isomer configurations with energies close to the ground state. This fact attaches additional importance to many-electron effects going…
We have found that the minimum energy configuration of $N=395$ charges confined in a disk and interacting via the Coulomb potential, reported by Cerkaski et al. in Ref.~\cite{Cerkaski15} is not a global minimum of the total electrostatic…
We investigate the linear-chain configurations of four-$\alpha$ clusters in $^{16}$O using a Skyrme cranked Hartree-Fock method and discuss the relationship between the stability of such states and angular momentum. We show the existence of…
The negatively-charged silicon vacancy center ($\rm V_{Si}^-$) in silicon carbide (SiC) is an emerging color center for quantum technology covering quantum sensing, communication, and computing. Yet, limited information currently available…