Related papers: First-principles study of configurational disorder…
We examine the effects of strain and cation substitution on the superconducting phase of polar semiconductors near a ferroelectric quantum phase transition with a model that combines a strong coupling theory of superconductors with a…
Recent discoveries of supposedly pure alpha-tetragonal boron require to revisit its structure. The system is also interesting with respect to a new type of geometrical frustration in elemental crystals, which was found in beta-rhombohedral…
Basal-plane dislocations (BPDs) pose a great challenge to the reliability of bipolar power devices based on the 4H silicon carbide (4H-SiC). It is well established that heavy nitrogen (N) doping promotes the conversion of BPDs to threading…
We investigate the crystal structure, transport properties and specific heat in five selected FeSe single crystals containing different amounts of disorder. Transport measurements show that disorder significantly suppresses superconducting…
It is shown that both structural phase transitions in Cd2Re2O7, which occur at T_{s1}=200 K and T_{s2}=120 K, are due to an instability of the Re tetrahedral network with respect to the same doubly degenerate long-wavelength phonon mode.…
We explore the interplay of a charge density wave (CDW) order and s-wave superconductivity (sSC) in a disordered system. Recent experiments on 1T-TiSe_2, where the pristine sample has a commensurate CDW order and the superconductivity…
Disorder effects in the thermodynamic properties of a ideal Bose gas confined in a semi-infinite multi-layer structure %described by $M$ permeable barriers within a box of thickness $L$ and infinite lateral extent, are analyzed. The layers…
I show the infinite-layer rare-earth nickelates are near a structural quantum critical point by mapping the energetics of their structural instabilities using first priniciples calculations. I first confirm previous results that show a…
Previous self-assembly experiments on a model icosahedral plant virus have shown that, under physiological conditions, capsid proteins initially bind to the genome through an en masse mechanism and form nucleoprotein complexes in a…
We present theoretical studies of morphology, stability, and electronic structure of monolayer hexagonal CBN alloys with rich content of h-BN and carbon concentration not exceeding 50 %. Our studies are based on the bond order type of the…
We have investigated the electronic structure of ordered and disordered Sr$_2$FeMoO$_6$ using {\it ab-initio} band structure methods. The effect of disorder was simulated within super-cell calculations to realize several configurations with…
Recently, the structural disorder-induced topological phase transitions in periodic systems have attracted much attention. However, in aperiodic systems such as quasicrystalline systems, the interplay between structural disorder and band…
We have studied the changes in the electronic structure and the superconducting transition temperature T_c of Mg(B_{1-x}C_{x})_{2} alloys as a function of x with 0\leq x\leq 0.3. Our density-functional-based approach uses coherent-potential…
Due to its high energy efficiency and environmental friendliness, solid-state cooling based on the barocaloric (BC) effect represents a promising alternative to traditional refrigeration technologies relying on greenhouse gases. Plastic…
We report the observation of the Berezinskii-Kosterlitz-Thouless transition for a 2D gas of exciton-polaritons, and through the joint measurement of the first-order coherence both in space and time we bring compelling evidence of a…
Carbon nanotubes are quasi-one-dimensional systems that possess superior transport, mechanical, optical, and chemical properties. In this work, we generalize the notion of disorder hyperuniformity, a recently discovered exotic state of…
Y$_{0.9}$Gd$_{0.1}$Fe$_{2}$, which crystallizes in a C15 cubic structure, can absorb up to 5 H/f.u. and its pressure-composition isotherm displays a multiplateau behavior related to the existence of several hydrides with different crystal…
Recently, competing electronic instabilities, including superconductivity and density-wave-like order, have been discovered in vanadium-based kagome metals AV3Sb5 (A = K, Rb, Cs) with a nontrivial band topology. This finding stimulates wide…
We present a phase diagram as a function of disorder in three-dimensional NbN thin films, as the system enters the critical disorder for the destruction of the superconducting state. The superconducting state is investigated using a…
In bulk materials superconductivity is remarkably robust with respect to non-magnetic disorder. In the two-dimensional limit however, the quantum condensate suffers from the effects produced by disorder and electron correlations which both…