Related papers: Ab initio Hartree-Fock with electronic correlation…
Electronic structure of a novel superconducting noncentrosymmetric compound Mg10Ir19B16 was calculated using the Korringa-Kohn-Rostoker method. Electronic part of the electron-phonon coupling constant, McMillan-Hopfield parameters, were…
We have studied the structural and electronic properties of Mg(1-x)Al(x)B2 within the Virtual Crystal Approximation (VCA) by means of first-principles total-energy calculations. Results for the lattice parameters, the electronic band…
We study the structural, electronic, and magnetic properties of Co$_2$ZAl compounds employing a pseudopotential electronic bandstructure method. The stability of the compounds is established through the formation and cohesive energy…
Inspired by the recent experiments in monolayer iron-based superconductors, we theoretically investigate properties of a two-dimensional multiband superconductor, focusing on two aspects. First, for vortex bound states, the spatial…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…
A sharp collective charge excitation is predicted in MgB$_2$ at $\sim2.5eV$ for $q$ perpendicular to the boron layers, based on an all-electron analysis of the dynamical density response within time-dependent density functional theory. This…
The electron-phonon interaction in magnesium diboride MgB_2 single crystals is investigated by point-contact (PC) spectroscopy. For the first time the electron coupling with E_2g phonon modes is resolved in the PC spectra. The correlation…
Using the Green's function formalism, an ab initio theory for band structures of crystals is derived starting from the Hartree-Fock approximation. It is based on the algebraic diagrammatic construction scheme for the self-energy which is…
Recently, a honeycomb borophene was reported to grow successfully on Al(111) surface. Since the metallic $\sigma$-bonding bands of honeycomb boron sheet play a crucial role in the 39 K superconductivity of MgB$_2$, it is physically…
The effect of electron correlation (EC) on the electronic structure in MgB$_2$, AlB$_2$ and ZrB$_2$, is studied by examining the partial density of states (PDOS) of B-2$p\sigma$ and $p\pi$ orbitals using the polarization dependence of x-ray…
This work investigates nematic fluctuations and electronic correlations in the hole-doped iron pnictide superconductor Ba$_{1-x}$K$_x$Fe$_2$As$_2$ by means of longitudinal and transverse elastoresistance measurements over a wide doping…
A series of calculations on MgB2 and related isoelectronic systems indicates that the layer of Mg(2+) ions lowers the non-bonding B "pi" (p_z) bands relative to the bonding "sigma" (sp_xp_y) bands compared to graphite, causing sigma --> pi…
We investigate the vortex state in a two-band superconductor with strong intraband and weak interband electronic scattering rates. Coupled Usadel equations are solved numerically and the distributions of the pair potentials and local…
The far-infrared absorption of a two-dimensional electron gas with a square-lattice modulation in a perpendicular constant magnetic field is calculated self-consistently within the Hartree approximation. For strong modulation and short…
We carried out combined transport and optical measurements for BaFe2As2 and five isostructural transition-metal (TM) pnictides. The low-energy optical conductivity spectra of these compounds are, to a good approximation, decomposed into a…
Application of secondary quantized self-consistent Dirac -- Hartree -- Fock approach to consider electronic properties of monolayer graphene with accounting of spin-polarized states allows to coherently explain experimental results on…
The electronic structure of electron-doped polycrystalline Mg$_{1-x}$Al$_{x}$(B$_{1-y}$C$_{y}$)$_2$ was examined by electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) and first-principle…
Using angle-resolved photoemission spectroscopy we have studied the low-energy electronic structure and the Fermi surface topology of Fe$_{1+y}$Te$_{1-x}$Se$_x$ superconductors. Similar to the known iron pnictides we observe hole pockets at…
Using the tight-binding method for the $\pi$-bands in MgB$_2$, the Hubbard on-site Coulomb interaction on two inequivalent boron $p_z$-orbitals is transformed into expressions in terms of $\pi$-band operators. For scattering processes…
X-ray absorption spectroscopy and optical reflectance measurements have been carried out to elucidate the evolution of the electronic structure in (Mg$_{1-x}$Al$_{x}$)B$_{2}$ for $\emph{x}$ = 0.0,0.1, 0.2, 0.3, and 0.4. The important role…