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The damaging effect of strong electron-electron repulsion on regular, electron-phonon %$s$-wave superconductivity is a standard tenet. In spite of that, an increasing number of compounds such as fullerides and more recently alkali-doped…
Density functional calculations are carried out to study the symmetry and substitution-driven electronic phase transition in BaPb$_{1-x}$Sn$_x$O$_3$. Two end members BaSnO$_3$ and BaPbO$_3$, are found to be insulating and metallic,…
The electronic structure of the unconventional superconductor UTe$_2$ was studied by resonant photoelectron spectroscopy (RPES) and angle-resolved photoelectron spectroscopy (ARPES) with soft X-ray synchrotron radiation. The partial…
We have calculated the electronic band structure of the (100) surface of the III--V zinc blende semiconductor compounds, using the standard tight binding method and the surface Green's function matching method. We have found that the…
We propose a microscopic theory of interaction of long wave molecular phonons with electrons in fullerides in the presence of disorder. Phonon relaxation rate and frequency renormalization are discussed. Finite electronic bandwidth reduces…
Controlling a thickness dependence of electronic properties for two-dimensional (2d) materials is among primary goals for their large-scale applications. Herein, employing a first-principles computational approach, we predict that Si…
Vibrational properties of composites based on single-walled carbon nanotubes (SWNTs) and conducting polymers of the type polyaniline (PANI) and poly (3,4-ethylene dioxythiophene) (PEDOT) are reported. For PANI-functionalized SWNTs, the…
The evolution of the role of lattice vibrations in the formation of the pseudogap state in strongly correlated electron systems has been investigated concerning changes in the electron-phonon coupling parameters and the concentration of…
We report the crystal structure of a new polymorph of Ca$_3$P$_2$, and an analysis of its electronic structure. The crystal structure was determined through Rietveld refinements of powder synchrotron x-ray diffraction data. Ca$_3$P$_2$ is…
PtBi$_2$ is a polymorphic system with interesting electronic properties. Here we report optimized crystal growth and structural characterization of pyrite-type and trigonal modification of PtBi$_2$. Selected area electron diffraction, X-ray…
We have explored new possible phases of 3D C60-based fullerites using semiempirical potentials and ab-initio density functional methods. We have found three closely related structures - two body centered orthorhombic and one body centered…
Renormalization of the Coulomb interaction in layered metals results in a strongly anisotropic plasma mode with low frequencies for small components of wave vector in the in-plane direction. Interaction of electrons with this mode was found…
The characteristic features of the renormalization of the electrons in the bilayer cuprate superconductors are investigated within the kinetic-energy driven superconductivity. It is shown that the quasiparticle excitation spectrum is split…
A one-third monolayer of the heavy metals Sn and Pb deposited on semiconductor substrates can lead to a $\sqrt{3}\times\sqrt{3}$ surface reconstruction, constituting an exciting triangular lattice material platform. A long history of…
Insulating-metallic transition mediated by substitutional atoms is predicted in a series of two-dimensional carbon-based structures. Introducing Si atoms in selected sites of tetrahexcarbon [Carbon 137 (2018) 266] according to rational…
Magic-angle twisted bilayer graphene exhibits a panoply of many-body phenomena that are intimately tied to the appearance of narrow and well-isolated electronic bands. The microscopic ingredients that are responsible for the complex…
The intricate interplay between itinerant-localized 5f states and strongly correlated electronic states have been systematically investigated in isostructural actinide compounds AnSn3 (An=U, Np, Pu) by using a combination of the density…
A theory of the electronic response in spin and charge disordered media is developed with the particular aim to describe III-V dilute magnetic semiconductors like GaMnAs. The theory combines a detailed k.p description of the valence band,…
Here we report the electronic structure of FeS, a recently identified iron-based superconductor. Our high-resolution angle-resolved photoemission spectroscopy studies show two hole-like ($\alpha$ and $\beta$) and two electron-like ($\eta$…
Electronic and optical properties of semiconducting FeSe2 polymorphs (marcasite and pyrite) were evaluated using density functional theory with norm-conserving pseudopotential. Marcasite and pyrite of FeSe2 show indirect band gaps of 0.86…