Related papers: Electronic Structure Calculations of CeRh$_{3}$B$_…

The synthesis, crystal structure, and physical properties studied by means of x-ray diffraction, magnetic, thermal and transport measurements of CeMAl$_{4}$Si$_{2}$ (M = Rh, Ir, Pt) are reported, along with the electronic structure…

Using a cluster extension of the dynamical mean-field theory, we show that strongly correlated metals subject to Hund's physics exhibit significant electronic structure modulations above magnetic transition temperatures. In particular, in a…

Strongly correlated electrons at the verge of quantum criticality give rise to unconventional phases of matter and behaviors, with the discovery of new quantum critical materials driving synergistic advances in both experiments and theory.…

We investigate the electronic structure of the c(4 x 2) reconstructed Ge(001) surface using band structure calculations based on density functional theory and the generalized gradient approximation. In particular, we take into account the…

We investigate the electronic structures of the alloyed Bi$_{1-x}$Sb$_x$ compounds based on first-principle calculations including spin-orbit coupling (SOC), and calculate the surface states of semi-infinite systems using maximally…

We provide the microscopic explanation for the localized f state observed in a heavy fermion metal YbRh2Si2 by Prof. F. Steglich's group, reported recently in Phys. Rev. Lett. 91 (2003) 156401, as associated with the strongly-correlated…

Lattice parameter, electronic structure, mechanical and thermodynamic properties of ThN are systematically studied using the projector-augmented-wave method and the generalized gradient approximation based on the density functional theory.…

We have studied the thermal, magnetic, and electrical properties of the ternary intermetallic system CeNiGe$_{3}$ by means of specific heat, magnetization, and resistivity measurements. The specific heat data, together with the anisotropic…

Gd6FeBi2 is reported as the only one room-temperature magnet with a Curie temperature (Tc) of ca. 350 K among more than hundreds of compounds with its structural type, which makes it more attractive in potential applications. To reveal the…

Co$_3$Sn$_2$S$_2$ is a magnetic Weyl semimetal, in which ferromagnetic ordering at 177K is predicted to stabilize Weyl points. We perform temperature and spatial dependent angle--resolved photoemission spectroscopy measurements through the…

The physical properties of single-crystalline SmBe$_{13}$ with a NaZn$_{13}$-type cubic structure have been studied by electrical resistivity ($\rho$), specific heat ($C$), and magnetization ($M$) measurements in magnetic fields of up to 9…

We report here on the electronic structure of electron-doped half-metallic ferromagnetic perovskites such Sr$_{2-x}$La$_x$FeMoO$_6$ ($x$=0-0.6) as obtained from high-resolved valence-band photoemission spectroscopy (PES). By comparing the…

The electronic structure of fluorite crystals are studied by means of density functional theory within the local density approximation for the exchange correlation energy. The ground-state electronic properties, which have been calculated…

Motivated by an experimental report of iridate superlattices, we performed first-principle electronic structure calculations for SrIrO$_3$/SrTiO$_3$. Heterostructuring causes SrIrO$_3$ to become Sr$_2$IrO$_4$-like, and the system has the…

The chain-like system Ba_{3}Cu_{3}Sc_4O_{12} has potentially interesting magnetic properties due to the presence of Cu^{2+} and a structure-suggested low-dimensionality. We present magnetization M versus magnetic field H and temperature T,…

We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation+Hubbard $U$ and local density approximation + dynamic mean…

We report field and temperature dependent measurements of the thermoelectric power (TEP) across the pseudo-metamagnetic transition (MMT) in CeRu$_2$Si$_2$. We applied the thermoelectric gradient parallel and perpendicular to the field along…

An interface electron state at the junction between a three-dimensional topological insulator (TI) film of Bi2Se3 and a ferrimagnetic insulator film of Y3Fe5O12 (YIG) was investigated by measurements of angle-resolved photoelectron…

The electronic structures of CeRhSn and CeRuSn are self-consistently calculated within density functional theory using the local spin density approximation for exchange and correlation. In agreement with experimental findings, the analyses…

Half-metallic ferromagnets show 100% spin-polarization at the Fermi level and are ideal candidates for spintronic applications. Despite the extensive research in the field, very few materials have been discovered so far. Here we present…