Related papers: Proton Quantum Effects in H$_3$S Electronic Struct…
We report a theoretical investigation of effects of Mn and Co substitution in the transition metal sites of the kagome-lattice ferromagnet, Fe3Sn2. Herein, hole- and electron-doping effects of Fe3Sn2 have been studied by density-functional…
We report progress on nuclear structure functions, especially on their nuclear modifications and a new tensor structure function for the deuteron. To understand nuclear structure functions is an important step toward describing nuclei and…
We investigate the role of electron correlation and disorder on the electronic structure of layered nickelate (La$_{0.5}$Sr$_{0.5}$)$_2$NiO$_4$ using core level and valence band photoemission spectroscopy in conjunction with density…
Recent advances in X-ray free-electron laser diagnostics have enabled direct probing of the electronic structure under extreme pressures and temperatures, such as those encountered in stellar interiors and inertial confinement fusion…
This PhD thesis is devoted to the low-energy structure of the nucleon (proton and neutron) as seen through electromagnetic probes, e.g., electron and Compton scattering. The research presented here is based primarily on dispersion theory…
Using the Dirac equation, we study corrections to electron binding energies and hyperfine splittings of atomic hydrogen and hydrogen-like ions due to finite nuclear size (FNS) effects, relativistic QED radiative corrections and nuclear…
Hard exclusive processes, such as deep electroproduction of photons and mesons off nuclear targets, could give access, in the coherent channel, to nuclear generalized parton distributions (GPDs). Here, a realistic microscopic calculation of…
We have investigated the electronic structure and the Fermi surface of SnO using density functional theory (DFT) calculations within recently proposed exchange-correlation potential (PBE+mBJ) at ambient conditions and high pressures up to…
In this paper we investigate the electronic and superconducting properties in nickelate compounds of NiO2 through Perturbative Density Functional Theory (P-DFT) and multi-band BCS theory. We consider three different cases of study (i) the…
I give a brief overview of experimental studies of the spectrum and the structure of the excited states of the nucleon and what we learn about their internal structure. The focus is on the effort to obtain a more complete picture of the…
Atomic electrons are sensitive to the properties of the nucleus they are bound to, such as nuclear mass, charge distribution, spin, magnetization distribution, or even excited level scheme. These nuclear parameters are reflected in the…
Organic molecular solids can exhibit rich phase diagrams. In addition to structurally unique phases, translational and rotational degrees of freedom can melt at different state points, giving rise to partially disordered solid phases. The…
The high-frequency Raman-active phonon modes of metallic single-walled carbon nanotubes (SWNTs) are thought to be characterized by Kohn anomalies (KAs), which are expected to be modified by the doping-induced tuning of the Fermi energy…
The density functional theory (DFT) is based on the existence and uniqueness of a universal functional $E[\rho]$, which determines the dependence of the total energy on single-particle density distributions. However, DFT says nothing about…
We investigate the impact of hyperons and phase transition to quark matter on the structural properties of neutron stars within the regularized four-dimensional Einstein-Gauss-Bonnet gravity (4DEGB). We employ the density-dependent…
Cathode materials undergo various phase transitions during the charge/discharge process, and the structural transitions significantly affect the battery performance. Although phonon properties can provide a direct clue for structural…
The nucleon mean-field potential has been thoroughly investigated in an extended Hartree-Fock (HF) calculation of nuclear matter (NM) using the CDM3Y3 and CDM3Y6 density dependent versions of the M3Y interaction. The single-particle (s/p)…
Although the neutron (n) does not carry a total electric charge, its charge and magnetization distributions represented in momentum space by the electromagnetic form factors, $F_1^{(n)} (q^2)$ and $F_2^{(n)} (q^2)$, lead to an…
One of the greatest challenges when designing new technologies that make use of non-trivial quantum materials is the difficulty associated with predicting material-specific properties, such as critical temperature, gap parameter, etc. There…
We present a detailed study of the nuclear quantum effects in H/D sticking to graphene, comparing classical, quantum and mixed quantum/classical simulations to results of scattering experiments. Agreement with experimentally derived…