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We study the effect of semicore states on the self-energy corrections and electronic energy gaps of silicon, germanium and GaAs. Self-energy effects are computed within the GW approach, and electronic states are expanded in a plane-wave…
We study the topologically non-trivial semi-metals by means of the 6-band Kane model. Existence of surface states is explicitly demonstrated by calculating the LDOS on the material surface. In the strain free condition, surface states are…
Synthetic ferrimagnets are an attractive materials class for spintronics as they provide access to all-optical switching of magnetization and, at the same time, allow for ultrafast domain wall motion at angular momentum compensation. In…
Results of a theoretical study of the electronic properties of (Si)Ge and (Ge)Si core/shell nanoparticles, homogeneous SiGe clusters, and Ge$|$Si clusters with an interphase separating the Si and Ge atoms are presented. In general, (Si)Ge…
Due to their great potential in electronics, optoelectronics and piezoelectronics, Janus transition metal dichalcogenide (TMD) monolayers have attracted increasing research interest, the MoSSe of which with sandwiched S-Mo-Se structure has…
The dependence of valence band structures of Ge$_{1-x}$Sn$_x$ with 0 $\leq$ $x$ $\leq$ 0.2 on Sn content, biaxial strain, and substrate orientation is calculated using the nonlocal empirical pseudopotential method. The first valence subband…
We calculate the electronic structure of nm scale InP islands embedded in $Ga_{0.51}In_{0.49}P$. The calculations are done in the envelope approximation and include the effects of strain, piezoelectric polarization, and mixing among 6…
This paper reports a study of the influence of the step at a silicon surface under an uniaxial tensile stress, using an empirical potential. Our aim was to find conditions leading to nucleation of dislocations from the step. We obtained…
Si/SiGe heterostructures on bulk Si substrates have been shown to host high fidelity electron spin qubits. Building a scalable quantum processor would, however, benefit from further improvement of critical material properties such as the…
Electrical properties of multilayer arrays of germanium nanoclusters grown on the silicon (001) surface at low temperature have been studied. A correlation between the quantum dot (QD) density estimated from STM and the charge accumulated…
Quasi van der Waals Epitaxy (qvdWE) has been realized for decades at the interfaces between 3D and 2D materials or van der Waals materials. The growth of magnetic topological insulators (MTI) Cr: (BixSb1-x)2Te3 (CBST) on GaAs (111)…
Quasiparticle interference induced by cobalt adatoms on the surface of the topological insulator Bi$_{2}$Se$_{3}$ is studied by scanning tunneling microscopy, angle-resolved photoemission spectroscopy and X-ray magnetic circular dichroism.…
The influences of Si sheet doping levels on the properties of InAs/GaAs quantum dots (QDs) are investigated by atomic force microscopy (AFM) and photoluminescence (PL). AFM measurements reveal that Si sheet doping doesn't change the…
A combination of micro-Raman spectroscopy and micro-XPS (X-ray photo-electron spectroscopy) mapping on statically deflected p-type silicon cantilevers is used to study the mechanical stress dependence of the Fermi level pinning at an…
Topological aspects of superconductivity in quantum spin-Hall systems (QSHSs) such as thin layers of three-dimensional topological insulators (3D Tis) or two-dimensional Tis are in the focus of current research. We examine hybrid…
An anomalous energy splitting of spin triplet states at zero magnetic field has recently been measured in germanium quantum dots. This zero-field splitting could crucially alter the coupling between tunnel-coupled quantum dots, the basic…
We investigate the properties and the microscopic structure of superconductivity (SC), coexisting and sharing the common conducting band with density wave (DW). Such coexistence may take place when the nesting of the Fermi surface (FS) is…
Surface-states of topological insulators are assumed to be robust against non-magnetic defects in the crystal. However, recent theoretical models and experiments indicate that even non-magnetic defects can perturb these states. Our…
One of central issues in iron-based superconductors is the role of structural change to the superconducting transition temperature (T_c). It was found in FeSe that the lattice strain leads to a drastic increase in T_c, accompanied by…
Radiation damage in body-centered cubic (BCC) Fe has been extensively studied by computer simulations to quantify effects of temperature, impinging particle energy, and the presence of extrinsic particles. However, limited investigation has…