相关论文: Electronic structure and de Haas-van Alphen freque…

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…

We present density functional theory (DFT) calculations and a full set of X-ray spectra (resonant inelastic X-ray scattering and X-ray photoelectron spectra) measurements of single crystal CaFe2As2. The experimental valence band spectra are…

We present the results of extended theoretical LDA+DMFT calculations for a new iron-pnictide high temperature superconductor NaFeAs compared with the recent high quality angle-resolved photoemission (ARPES) experiments on this system [1].…

We have completely determined the Fermi surface in KFe$_2$As$_2$ via de Haas-van Alphen (dHvA) measurements. Fundamental frequencies $\epsilon$, $\alpha$, $\zeta$, and $\beta$ are observed in KFe$_2$As$_2$. The first one is attributed to a…

The electronic spectral function of BaNi$_2$As$_2$ is investigated using both the angle-resolved photoemission spectroscopy (ARPES) and a combined computational scheme of local density approximation together with dynamical mean-field theory…

We investigate the role of correlations in the tetragonal and collapsed tetragonal phases of CaFe2As2 by performing charge self-consistent DFT+DMFT (density functional theory combined with dynamical mean-field theory) calculations. While…

We present an approach that combines the local density approximation (LDA) and the dynamical mean-field theory (DMFT) in the framework of the full-potential linear augmented plane waves (FLAPW) method. Wannier-like functions for the…

For more than three decades, nearly free electron elemental metals have been a topic of debate because the computed bandwidths are significantly wider in the local density approximation to density-functional theory (DFT) than indicated by…

The de Haas-van Alphen-frequencies as well as the effective masses for a magnetic field parallel to the crystallographic c-axis are calculated within the local spin density approximation (LSDA) for MgB2 and TaB2. In addition, we analyze the…

Field-, temperature- and angle-dependent Fourier amplitude of de Haas-van Alphen (dHvA) oscillations are calculated for compensated two-dimensional (2D) metals with textbook Fermi surface (FS) composed of one hole and two electron orbits…

We investigate electronic structure of the new iron chalcogenide high temperature superconductor K{1-x}Fe{2-y}Se2 (hole doped case with x=0.24, y=0.28) in the normal phase using the novel LDA'+DMFT computational approach. We show that this…

We report a de Haas-van Alphen (dHvA) study of the electronic structure of Al doped crystals of MgB$_2$. We have measured crystals with $\sim 7.5$% Al which have a $T_c$ of 33.6 K, ($\sim 14$% lower than pure MgB$_2$). dHvA frequencies for…

The electronic structure of WTe$_2$ and orthorhombic $\gamma-$MoTe$_2$, are claimed to contain pairs of Weyl type-II points. A series of ARPES experiments claim a broad agreement with these predictions. We synthesized single-crystals of…

We have performed an angle-resolved photoemission study of the hole-overdoped iron pnictide superconductor KFe2As2, which shows a low Tc of ~4 K. Most of the observed Fermi surfaces show nearly two-dimensional shapes, while a band near the…

Using local density approximation plus dynamical mean-field theory (LDA+DMFT), we have computed the valence band photoelectron spectra of highly popular multiferroic BiFeO$_{3}$. Within DMFT, the local impurity problem is tackled by exact…

Understanding the superconducting properties of MgB_2 is based strongly on knowledge of its electronic structure. In this paper we review experimental measurements of the Fermi surface parameters of pure and Al-doped MgB_2 using the de…

The field of topological electronic materials has seen rapid growth in recent years, in particular with the increasing number of weakly interacting systems predicted and observed to host topologically non-trivial bands. Given the broad…

We report measurements of the de Haas-van Alphen effect for single crystals of MgB$_2$, in magnetic fields up to 32 Tesla. In contrast to our earlier work, dHvA orbits from all four sheets of the Fermi surface were detected. Our results are…

We report the first observation of the de Haas-van Alphen (dHvA) effect in the novel spin-triplet superconductor UTe2 using high quality single crystals with the high residual resistivity ratio (RRR) over 200. The dHvA frequencies, named…

Extensive inelastic neutron scattering measurements of phonons on a single crystal of CaFe2As2 allowed us to establish a fairly complete picture of phonon dispersions in the main symmetry directions. The phonon spectra were also calculated…