Related papers: The calculation of the effective interaction param…
To identify the superconducting gap structure in URu2Si2 we perform field-angle-dependent specific heat measurements for the two principal orientations in addition to field rotations, and theoretical analysis based on microscopic…
We investigate the strongly interacting regime in an optically trapped $^6$Li Fermi mixture near a Feshbach resonance. The resonance is found at $800(40) $G in good agreement with theory. Anisotropic expansion of the gas is interpreted by…
In this Letter we report the first LDA+DMFT (method combining Local Density Approximation with Dynamical Mean-Field Theory) results of magnetic and spectral properties calculation for paramagnetic phases of FeO at ambient and high pressures…
Electronic correlations in the Fe-pnictide BaFe2As2 are explored within LDA+DMFT, the combination of density functional theory with dynamical mean-field theory. While the correlated band structure is substantially renormalized there is only…
A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic structure calculation. Within mean-field approximation,…
The electronic structures of FeAs-compounds strongly depend on the Fe-As bonding, which can not be described successfully by the local density approximation (LDA). Treating the multi-orbital fluctuations from $ab$-$initio$ by LDA+Gutzwiller…
We report on the experimental realization of homogeneous two-dimensional (2D) Fermi gases trapped in a box potential. In contrast to harmonically trapped gases, these homogeneous 2D systems are ideally suited to probe local as well as…
Superconducting properties were studied on high quality superconductors $Ba_{x}(NH_{3})Fe_{2}Se_{2}$ ($T_{c}$ = 39 K) and $Sr_{x}(NH_{3})Fe_{2}Se_{2}$ ($T_{c}$ = 44 K) prepared by intercalating Ba/Sr atoms into tetragonal $\beta$-FeSe by…
We show that recent high-precision measurements of relative on-site interaction energies $\Delta U$ in a Mott insulator require a theoretical description beyond the standard Hubbard-model interpretation, when combined with an accurate…
We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the…
The design of novel cathode materials for Li-ion batteries would greatly benefit from accurate first-principles predictions of structural, electronic, and magnetic properties as well as intercalation voltages in compounds containing…
The static local-field factor (LFF) of the interacting 2-D fluid is calculated nonperturbatively using a mapping of the quantum fluid to a classical Coulomb fluid [Phys. Rev. Let., {\bf 87}, 206 (2002)]. The LFF for the paramagnetic fluid…
Hybrid semiconductor-ferromagnetic insulator heterostructures are interesting due to their tunable electronic transport, self-sustained stray field and local proximitized magnetic exchange. In this work, we present lattice matched hybrid…
We present results for the electronic structure of alpha uranium using a recently developed quasiparticle self-consistent GW method (QSGW). This is the first time that the f-orbital electron-electron interactions in an actinide has been…
A simple analytical formula for three-dimensional Fermi surface (3D FS) of ${\rm Tl_{2}Ba_{2}CuO_{6+\delta}}$ is derived in the framework of LCAO approximation spanned over Cu~4s, Cu~3d$_{x^2-y^2}$, O~2p$_x$ and O~2p$_y$ states. This…
We present a metric-space approach to quantify the performance of density-functional approximations for interacting many-body systems and to explore the validity of the Hohenberg-Kohn-type theorem on fermionic lattices. This theorem…
Despite the importance of the electron correlation in the first-principles description of the Li-ion cathode materials, the Coulomb interaction parameter, U is often treated as an ad hoc value. In practice, one usually relies on empirical…
A dilute homogeneous 3D Fermi gas in the ground state is considered for the case of a repulsive pairwise interaction. The low-density (dilution) expansions for the kinetic and interaction energies of the system in question are calculated up…
The essential properties of graphite-based 3D systems are thoroughly investigated by the first-principles method. Such materials cover a simple hexagonal graphite, a Bernal graphite, and the stage-1 to stage-4 Li/Li$^+$ graphite…
The uniform electron gas (UEG) is a cornerstone of density-functional theory (DFT) and the foundation of the local-density approximation (LDA), one of the most successful approximations in DFT. In this work, we extend the concept of UEG by…