Related papers: Correlation-driven 3d Heavy Fermion behavior in Li…
Electronic structure of crystalline materials is their fundamental characteristic which is the basis of almost all their physical and chemical properties. Angle-resolved photoemission spectroscopy (ARPES) is the main experimental tool to…
Metamagnetic behavior has been observed in LiV2O4 powder sample around 38 T at 4.2 K. On the other hand, magnetization for oxygen deficient LiV2O3.92 shows no indication of metamagnetism up to 40 T, and shows substantially reduced magnetic…
By means of the density functional theory in combination with the dynamical mean-field theory, we tried to examine the electronic structure of hexagonal FeGe, in which the Fe atoms form a quasi-2D layered Kagome lattice. We predict that it…
The electronic bandstructure and the Fermi surfaces of ferromagnetic CeRh3B2 are calculated by using FLAPW and LSDA+U method. As assuming several kinds of the ground state to describe the 4f electronic state, we propose a fully orbital- and…
Recent angle-resolved photoemission measurements on La$_3$Ni$_2$O$_7$ have challenged the density-functional-theory-based picture of three Fermi surfaces by revealing that the $d_{z^2}$-derived $\gamma$ band can reside below the Fermi…
We use angle-resolved photoemission spectroscopy to study heavy fermion superconductor Ce2RhIn8. The Fermi surface is rather complicated and consists of several hole and electron pock- ets. We do not observe kz dispersion of Fermi sheets,…
Sr$_2$RuO$_4$ is an unconventional superconductor with a tetragonal structure, whereas Ca$_2$RuO$_4$ is a Mott insulator with orthorhombic symmetry. The substituted Ca$_{2-x}$Sr$_x$RuO$_4$ has yielded a rich phase diagram that is just…
Electronic correlation effects are manifested in quantum materials when either the onsite Coulomb repulsion is large or the electron kinetic energy is small. The former is the dominant effect in the cuprate superconductors or heavy fermion…
Flat electronic bands enable fascinating emergent phenomena such as superconductivity and charge orders. A prevailing approach to realizing flat bands is to engineer lattice geometric constraints in twisted or kagome-like materials. An…
We have employed first-principles electronic structure calculations to examine the hypothetical (but plausible) oxide spinel, LiCr2O4 with the d^{2.5} electronic configuration. The cell (cubic) and internal (oxygen position) structural…
Motivated by the recent finding of superconductivity in layered CoO_2 compounds, we investigate superconducting and magnetic instabilities of interacting electrons on the two-dimensional triangular lattice. Using a one-loop renormalization…
We have carried out high-resolution angle-resolved photoemission measurements on the Cebased heavy fermion compound CePt2In7 that exhibits stronger two-dimensional character than the prototypical heavy fermion system CeCoIn5. Multiple Fermi…
LiV$_2$O$_4$ spinel is known to exhibit heavy fermion-like behavior below a characteristic temperature $T_K\simeq 20$ K, while it preserves a paramagnetic state down to $T\sim10^{-2}$ K due to geometrical frustration. Here, it is shown that…
Correlations between the localized and conductive spins/charges have been the central issue of various fascinating quantum phenomena found on itinerant electron systems. Here, the obvious multiplet structures are presented on the Mn 2$p$ to…
The electronic properties of two spinels Fe$_3$O$_4$ and Fe$_2$SiO$_4$ are studied by the density functional theory. The local Coulomb repulsion $U$ and the Hund's exchange $J$ between the $3d$ electrons on iron are included. For $U=0$,…
We present a first-principles investigation of the electronic structure of the inversion-symmetry-broken spin-orbit-coupled metal candidate PbRe$_2$O$_6$. Our calculations reveal that the Fermi surfaces derived from the $d_{yz}$ and…
We investigate the electronic structure of a perovskite-type Pauli paramagnet SrMoO3 (t2g2) thin film using hard x-ray photoemission spectroscopy and compare the results to the realistic calculations that combine the density functional…
Motivated by the unusual features observed in the transport properties of the ferromagnetic "bad metal" $SrRuO_{3}$, we construct a model incorporating essential features of the realistic structure of this nearly cubic material. In…
The detailed information of the electronic structure is the key for understanding the nature of charge density wave (CDW) order and its relationship with superconducting order in microscopic level. In this paper, we present high resolution…
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…