Related papers: Electronic correlations stabilize the antiferromag…

The spin dynamics and electronic orders of the kagome system at different filling levels stand as an intriguing subject in condensed matter physics. By first-principles calculations and random phase approximation analyses, we investigate…

We study the pairing symmetry of the noncentrosymmetric heavy fermion superconductors CeRhSi$_3$ and CeIrSi$_3$ under pressures, which are both antiferromagnets at ambient pressure. We solve the Eliashberg equation by means of the random…

We theoretically study the role of electron-electron interactions in one-dimensional magnetized helical states coupled to an s-wave superconductor. We consider a partially mixed helical (superhelical) regime, where the magnetic field…

A computational scheme for the investigation of complex materials with strongly interacting electrons is formulated which is able to treat atomic displacements, and hence structural relaxation, caused by electronic correlations. It combines…

The electronic structures of element cerium under high pressure remain unclear all the time. We tried to calculate the electronic structures of $\alpha'$, $\alpha"$, and $\epsilon$-Ce which only exist in the presence of pressure, by using…

We study the newly discovered Pt phosphides $A$Pt$_3$P ($A$=Sr, Ca, La) [ T. Takayama et al. Phys. Rev. Lett. 108, 237001 (2012)] using first-principles calculations and Migdal-Eliashberg theory. Given the remarkable agreement with the…

We solve the quantum-mechanical antiferromagnetic Heisenberg model with spins positioned on vertices of the truncated icosahedron using the density-matrix renormalization group (DMRG). This describes magnetic properties of the undoped…

The nature of the bonding in Li$_3$AlH$_6$ has been re-examined with additional analyses using density-functional calculations. From partial density of states, charge density distribution, charge transfer, electron localization function,…

Alkali-doped fullerides exhibit a wealth of unusual phases that remain controversial by nature. Here we report a cryogenic scanning tunneling microscopy study of the sub-molecular structural and electronic properties of expanded fullerene…

Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spin-orbit coupling (SOC) and usually behave as moderately correlated metals. A recent publication (Phys. Rev. B 95, 245121(2017)) on…

In perovskite-type compounds, the interplay of cooperative Jahn-Teller effect, electronic correlations and orbital degree of freedom leads to intriguing properties. $\mathrm{NaCrF_{3}}$ is a newly synthesized Jahn-Teller active…

We posit that there exist deep and fundamental relationships between the above seemingly very different materials. The carrier concentration-dependences of the electronic behavior in the conducting organic charge-transfer solids and layered…

We report the synthesis and physical characterization of single-crystalline Ce3MgBi5, a previously unexplored member of the Ce3MPn5 family. This compound crystallizes in the hexagonal P63/mcm structure, featuring an anisotropic Ce…

Superconductivity in sulfur superhydride H$_{3}$S under extreme pressures has been explained theoretically, but it requires a peaked concentration of the electronic density of states (DOS), which has been found in first-principles…

We present a theoretical study of a model heterostructure for a Mott-insulator sandwiched between two band insulators, such as SrTiO3/LaTiO3. Particular emphasis is given on the interplay between magnetism and inhomogeneous charge…

Variations in the band structures of C60-polymers are studied, when conjugation conditions and the electron number are changed. We use a semiempirical model with the Su-Schrieffer-Heeger type electron-phonon interactions. In the neutral…

The binary compound V$_3$Ga can exhibit two near-equilibrium phases, consisting of the A15 structure that is superconducting, and the Heusler D0$_3$ structure that is semiconducting and antiferromagnetic. Density functional theory…

Heterostructures composed of ferromagnetic La0.7Sr0.3MnO3, ferromagnetic SrRuO3, and superconducting YBa2Cu3Ox were studied experimentally. Structures of composition Au/La0.7Sr0.3MnO3/SrRuO3/YBa2Cu3Ox were prepared by pulsed laser…

AV3Sb5 (A=K, Rb, Cs) are kagome metals and superconductors, attracting much recent attention as nexus of multiple quantum states. Here, through a systematic study of electric and thermal transport of CsV3Sb5, we identify iy as a metallic…

Generalized theory of the normal properties of the metal in the case of the electron-phonon (EP) systems with not constant density of electronic states is used to examine the normal state of the SH3 and SH2 phase of the hydrogen sulfide at…