Related papers: Electronic structure of the pyrochlore metals Cd2O…
In this paper we report comprehensive experimental and theoretical investigation of magnetic and electronic properties of the intermetallic compounds Pr2Fe17 and Gd2Fe17. For the first time electronic structure of these two systems was…
Fully relativistic first-principles electronic structure calculations based on a noncollinear local spin density approximation (LSDA) are performed for pyrochlore iridates Y$_2$Ir$_2$O$_7$ and Pr$_2$Ir$_2$O$_7$. The all-in, all-out…
We examine the resistivity and thermopower of single crystal specimens of the pyrochlore oxide Cd2Re2O7 at pressures up to 2GPa. Thermopower proves to be a sensitive tool in the study of the phase diagram of Cd2Re2O7. The 200K…
We performed a detailed study of the intrinsic electronic structure of YRu2Si2 employing angleresolved photoemission spectroscopy (ARPES) and density-functional theory (DFT) based firstprinciples calculations. Electrical and magnetic…
Electronic band structures in solids stem from a periodic potential reflecting the structure of either the crystal lattice or an electronic order. In the stoichiometric ruthenate Ca$_3$Ru$_2$O$_7$, numerous Fermi surface sensitive probes…
We report LDA calculated band structure, densities of states and Fermi surfaces for recently discovered Pt-pnictide superconductors APt3P (A=Ca,Sr,La), confirming their multiple band nature. Electronic structure is essentially three…
We report the physical properties and electronic structure calculations of a layered chromium oxypnictide, Sr$_2$Cr$_3$As$_2$O$_2$, which crystallizes in a Sr$_2$Mn$_3$As$_2$O$_2$-type structure containing both CrO$_2$ planes and…
We grew needle-shaped single crystals of GdAgGe, which crystallizes in a noncentrosymmetric hexagonal crystal structure with space group P$\overline{6}$2$m$ (189). The magnetic susceptibility data for $H \perp c$ reveal two pronounced…
Soft and hard X-ray photoelectron spectroscopy (PES) has been performed for one of the heavy fermion system CeRu$_2$Si$_2$ and a $4f$-localized ferromagnet CeRu$_2$Ge$_2$ in the paramagnetic phase. The three-dimensional band structures and…
Chemical interaction and changes in local electronic structure of Cr, Fe, Co, Ni and Cu transition metals (TMs) upon formation of an $Al_{8}Co_{17}Cr_{17}Cu_{8}Fe_{17}Ni_{33}$ compositionally complex alloy (CCA) have been studied by X-ray…
The electronic structure of Sr0.35CoO2, structurally analogous to the layered NaxCoO2, has been evaluated using the local spin density approximation (LSDA). We find that evident c-dispersions appear in both the e'g and a1g Co-derived bands,…
The connectivity and inherent frustration of the kagome lattice can produce interesting electronic structures and behaviors in compounds containing this structural motif. Here we report the properties of Pt3X2 (X = In and Tl) that adopt a…
The electronic structure of the nanolaminated transition metal carbide Ti2AlC has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Ti L, C K and Al L emission spectra are compared with calculated spectra…
The magnetic and electronic properties of Eu2Ru2O7 are discussed in terms of the local ruthenium and europium coordinations, electronic band structure calculations and molecular orbital energy levels. A preliminary electronic structure was…
We provide a systematic study on the electronic structure of a series of Ta$_2$O$_5$ polymorphs using standard density functional theory (DFT) calculations as well as the more accurate many-body perturbation theory within the GW…
The electronic, structural, optical, and thermoelectric properties of the Cs2O cubic structure have been investigated using density functional theory (DFT). The calculations utilize a full relativistic version of the full-potential…
We report our theoretical results on the order parameters for the pyrochlore metal Cd$_2$Re$_2$O$_7$, which undergoes enigmatic phase transitions with inversion symmetry breaking. By carefully examining active electronic degrees of freedom…
The electronic structure of the ferromagnetic semiconductor EuO is investigated by means of spin- and angle-resolved photoemission spectroscopy (spin-ARPES) and density functional theory. EuO exhibits unique properties of hosting both…
We report density functional theory (DFT) band structure calculations on the transparent conducting oxides CuAlO2, CuGaO2, CuInO2 and CuCrO2. The use of the hybrid functional sX-LDA leads to considerably improved electronic properties…
We present a comprehensive study of the low-energy band structure and Fermi surface (FS) topology of $A$Co$_2$As$_2$ ($A=$ Ca, Sr, Ba, Eu) using high-resolution angle-resolved photoemission spectroscopy. The experimental FS topology and…