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The low-carrier ordered phase below the metal-non-metal transition temperature T_MI ~ 63 K of PrRu4P12 is explored by probing magnetoresistance, magnetic susceptibility, thermoelectric power, and Hall effect on high quality single crystals.…
The vulnerability of prominent silicon-based U-shaped Metal-Oxide-Semiconductor Field Effect Transistors (UMOSFET) to destructive radiation effects when operating in terrestrial atmospheric environments is addressed. It is known that…
Superconductivity has recently been observed in moir\'e transition-metal dichalcogenide bilayers. Here, we investigate the superconducting state in twisted WSe$_2$ using two complementary theoretical approaches. The first is based on the…
CdTe is a key thin-film photovoltaic technology. Non-radiative electron-hole recombination reduces the solar conversion efficiency from an ideal value of 32% to a current champion performance of 22%. The cadmium vacancy (V_Cd) is a…
Defects in silicon carbide are of intense and increasing interest for quantum-based applications due to this material's properties and technological maturity. We calculate the multi-particle symmetry adapted wave functions of the negatively…
The compound $Nb_{5-\delta}Te_4$ ($\delta=0.23$) with quasi-one-dimensional crystal structure undergoes a transition to superconductivity at $T_c$=0.6--0.9 K. Its electronic transport properties in the normal state are studied in the…
The research focuses on the explanation of a phenomenon observed in the spectra of electron nuclear resonance (ENDOR) pertaining to nitrogen atoms adjacent to the boron vacancy (VB) defect in hexagonal boron nitride (hBN). The phenomenon is…
In previous reports a structural transition from a cubic phase of Yb$_3$Rh$_4$Sn$_{13}$ - type to the superlattice variant has been reported at $\sim160$ K for a series of skutterudite-related Ce$_3$M$_4$Sn$_{13}$ compounds, where M=Co, Ru…
In$_2$Se$_3$ is a semiconductor material that can be stabilized in different crystal structures (at least one 3D and several 2D layered structures have been reported) with diverse electrical and optical properties. This feature has plagued…
Ab initio total energy calculations show that the antiferromagnetic (111) order is not the ground state for the ideal CuMnSb Heusler alloy in contrast to the results of neutron diffraction experiments. It is known, that Heusler alloys…
Negatively charged boron vacancies ($\small{V_B^-}$) in hexagonal boron nitride (hBN) have recently gained interest as spin defects for quantum information processing and quantum sensing by a layered material. However, the boron vacancy can…
We present an experimental study of electron transport in inversion layers of high-mobility Si(001) samples with occupied excited subbands. The second series of oscillations, observed in addition to the main series of Shubnikov-de Hass…
We report the successful growth of high-quality single crystals of potassium intercalated iron selenide KxFe2-ySe2 by Bridgeman method. The effect of iron vacancies on transport properties was investigated by electrical resistivity and…
Substitution of nickel by copper in the heavy fermion system CeNi$_{9-x}$Cu$_x$Ge$_4$ alters the local crystal field environment of the Ce$^{3+}$-ions. This leads to a quantum phase transition near $x\approx0.4$, which is not only driven by…
The extraordinary properties of two dimensional (2D) materials, such as the extremely high carrier mobility in graphene and the large direct band gaps in transition metal dichalcogenides MX2 (M = Mo or W, X = S, Se) monolayers, highlight…
We theoretically investigate defect formation energies in LaO$X$S$_2$ ($X=$Sb, Bi) using first-principles calculation. We find that the oxygen vacancy is relatively stable, where its formation energy is higher in $X=$ Sb than in $X=$ Bi. An…
We investigate theoretically the linear and nonlinear conductance through a nanostructure with two-fold degenerate single levels, corresponding to the transport through nanostructures such as a carbon nanotube, or double dot systems with…
Hybrid halide perovskites such as methylammonium lead iodide (CH3NH3PbI3) exhibit unusually low free carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations,…
Earlier reports demonstrated that ternary organic solar cells (OSC) made of donor polymers (D) blended with different mixtures of fullerene acceptors (A:A) performed very similarly. This finding is surprising, as the corresponding fullerene…
The filled-skutterudite compound CePt4Ge12 is situated close to the border between intermediate-valence of Ce and heavy-fermion behavior. Substitution of Ge by Sb drives the system into a strongly correlated and ultimately upon further…