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The motivation to develop materials for quantum technologies has put exploration of novel quantum states of matter at the focus of several research fields, with particular efforts towards understanding and controlling the behaviour of…
The occurrence of high temperature superconductivity, and the competition with magnetism, in stoichiometric and doped LaOFeAs and isostructural iron-oxypnictides is raising many fundamental questions about the electronic structure and…
We present a power counting to include Coulomb effects in the three-nucleon system in a low-energy pionless effective field theory (EFT). With this power counting, the quartet S-wave proton-deuteron elastic scattering amplitude is…
We have theoretically investigated the thermoelectric properties of impurity-doped one-dimensional semiconductors, focusing on nitrogen-substituted (N-substituted) carbon nanotubes (CNTs), using the Kubo formula combined with a…
We investigate the van der Waals interactions in solid molecular hydrogen structures. We calculate enthalpy and the Gibbs free energy to obtain zero and finite temperature phase diagrams, respectively. We employ density functional theory…
The sensitivity of the deuteron form factor to contributions from the excited states of the nucleon is explored using a simple model of the nucleon-nucleon interaction which employs a tower of charged nucleon resonances. The model is…
The influence of the nuclear medium on the production of charged hadrons in semi-inclusive deep inelastic scattering has been studied by the HERMES experiment at DESY using 27.5 GeV positrons. A substantial reduction of the multiplicity of…
This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…
To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal close-packed (hcp) yttrium, stable at ambient pressure and double hexagonal close-packed (dhcp)…
Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic…
The Born effective charge Z^{*} and dielectric tensor \epsilon_{\infty} of KNbO_3 are found to be very sensitive to the atomic geometry, changing by as much as 27% between the paraelectric cubic and ferroelectric tetragonal and rhombohedral…
Using first-principles density functional theory calculations, we investigate the pressure-induced quantum phase transition (QPT) from the charge density wave (CDW) to the pristine phase in the layered kagome metal CsV$_3$Sb$_5$ consisting…
Mass number dependence of the nuclear radii is closely related to the nuclear matter properties. It is known that the most of nuclei exhibit some deformation. We discuss how the nuclear density profile is modified by the nuclear deformation…
We theoretically investigate the Kondo effect of a T-shaped triple-quantum-dot structure, by means of the numerical renormalization group method. It is found that at the point of electron-hole symmetry, the system's entropy has…
It is shown that the nuclear effects playing a relevant role in Deep Inelastic Scattering of polarized electrons by polarized $^3$He are mainly those arising from the effective proton and neutron polarizations generated by the $S'$ and $D$…
We investigate how higher-order symmetry-energy coefficients of the equation of state (EOS) describing $npe\mu$ core matter impact key neutron star (NS) properties at its crust inner edge, its moment of inertia and corresponding crustal…
In Fe-based superconductors, electron doping is often realized by the substitution of transition-metal atoms for Fe. In order to investigate how the electronic structure of the parent compound is influenced by Zn substitution, which…
The dynamical influence of $\Lambda$ hyperons on the excited-state properties of closed-shell multi-$\Lambda$ Ca, Ni, Sn and Pb hypernuclei is investigated using the self-consistent Hartree-Fock + Random Phase Approximation in coordinate…
The interplay between the coupling of an interacting quantum dot to a conduction band and its connection to localized levels has been studied in a triple quantum dot arrangement. The electronic Dicke effect, resulting from quasi-resonant…
Recent ineleastic electron-proton scattering experiments have led to rather accurate values for the N->Delta transition quadrupole moment Q(N->Delta).The experimental results imply a prolate (cigar-shaped) intrinsic deformation of the…