Related papers: Electronic structure calculations for PrFe4P12 fil…
We present a combined study of the electronic structure of the superconducting skutterudite derivative SrPt4Ge12 by means of X-ray photoelectron spectroscopy and full potential band structure calculations including an analysis of the…
The thermoelectric properties of La-filled skutterudites are discussed from the point of view of their electronic structures. These are calculated from first principles within the local density approximation. The electronic structure is in…
The optical conductivity [$\sigma(\omega)$] spectra of alkaline-earth-filled skutterudites with the chemical formula $A^{2+}M_{4}$Sb$_{12}$ ($A$ = Sr, Ba, $M$ = Fe, Ru, Os) and a reference material La$^{3+}$Fe$_{4}$Sb$_{12}$ were obtained…
The filled skutterudite superconductor PrPt4Ge12 was studied in muon-spin rotation (muSR), specific heat, and electrical resistivity experiments. The continuous increase of the superfluid density with decreasing temperature and the…
We report on a study of the superconducting properties for a series of polycrystalline BaPt(4-x)Au(x)Ge12 filled skutterudite compounds for x = 0, 0.5, 0.75, and 1. Muon spin rotation (muSR) spectroscopy as well as magnetization, specific…
The structural, elastic, thermodynamic and thermoelectric characteristics of the $\textrm{CeIr}_\textrm{4} \textrm{P}_\textrm{12}$ skutterudite have been predicted for the first time by applying density functional theory and the…
New germanium-platinum compounds with the filled-skutterudite crystal structure were synthesized. The structure and composition were investigated by X-ray diffraction and microprobe analysis. Magnetic susceptibility, specific heat, and…
First principles FPLAPWcalculations were performed in the framework of Density Functional Theory (DFT), to study the electronic structures and magnetic properties for the new full-Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn). The investigated…
Experiments on rare-earth filled skutterudites demonstrate an intriguing array of thermodynamic, transport and superconducting properties, and bring to fore theoretical challenges posed by f-electron systems. First principle calculations…
We report the electronic and superconducting properties in the Pr-based filled-skutterudite superconductor PrRu$_4$Sb$_{12}$ with $T_c = 1.3$ K via the measurements of nuclear-quadrupole-resonance (NQR) frequency $\nu_Q$ and…
In the unconventional f-electron-associated charge order phase of filled skutterudite PrRu4P12, the low-temperature behaviors of the triplet crystalline-electric-field ground state of Pr ions have been studied by specific heat and…
On the basis of density functional theory (DFT) calculations thermoelectric properties are derived for Sb-doped skutterudites MPt$_4$Ge$_{12-x}$Sb$_x$ with M=Ba,La,Th. It is predicted that the originally very small absolute values of…
A filled skutterudite, La$_{0.5}$Rh$_4$Sb$_{12}$, with a lattice constant of 9.284(2) {\AA} was synthesized using a high-pressure technique. The electrical resistivity showed semiconducting behavior and the energy gap was estimated to be…
The wurtzite (wz) structure of CdS is analyzed using density functional theory within the generalized gradient approximation (GGA) and Hubbard correction (GGA+U). The total energy convergence evaluation is carried out concerning energy…
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…
We report a study of the superconducting and normal-state properties of the filled-skutterudite system PrPt$_{4}$Ge$_{12-x}$Sb$_x$. Polycrystalline samples with Sb concentrations up to $x =$ 5 were synthesized and investigated by means of…
First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…
We report density functional study of alternate fullerene-like cage structures and finite closed capped single-wall nanotubes of aluminum nitride. The cages and nanotubes studied are modeled as Al24N24, Al28N28, Al32N32, Al36N36, Al48N48,…
Studies of superconductivity in multiband correlated electronic systems has become one of the central topics in condensed matter/materials physics. In this paper, we present the results of thermodynamic measurements on the superconducting…
Infrared reflectance spectroscopy measurements were made on four members of the MFe_4P_12 family of filled skutterudites, with M=La, Th, Ce and U. In progressing from M=La to U the system undergoes a metal-insulator transition. It is shown…