相关论文: Dilute Metals

Thermal conductivity of superconducting MgB2 was studied in both the superconducting and the normal state region. The latter is almost equally determined by the electronic - and the lattice contribution to the total thermal conductivity. In…

Pd43Ni10Cu27P0 has been investigated in its equilibrium liquid state with incoherent, inelastic neutron scattering. As compared to simple liquids, liquid PdNiCuP is characterized by a dense packing with a packing fraction above 0.5. The…

Insulating-metallic transition mediated by substitutional atoms is predicted in a series of two-dimensional carbon-based structures. Introducing Si atoms in selected sites of tetrahexcarbon [Carbon 137 (2018) 266] according to rational…

The electronic properties of single- and multi-cation transparent conducting oxides (TCOs) are investigated using first-principles density functional approach. A detailed comparison of the electronic band structure of stoichiometric and…

The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). The optimized crystal structure is obtained and the…

The density functional plus U method is used to obtain the electronic structure, lattice relaxation and metal-insulator phase diagram of superlattices consisting of $m$ layers of Gadolinium Titanate (GdTiO$_{3}$) alternating with $n$ layers…

The simultaneous condensation of electronic and structural degrees of freedom gives rise to new states of matter, including superconductivity and charge-density-wave formation. When exciting such a condensed system, it is commonly assumed…

A material called LK-99, a modified-lead apatite crystal structure with the composition Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O ($0.9<x<1.1$), has been synthesized using the solid-state method. The material exhibits the Ohmic metal characteristic of…

We present a comprehensive first-principles study of the structural and elastic properties of 2H-MX$_2$ transition metal dichalcogenides (TMDs) (M = W, Mo, Ta, Nb; X = S, Se). Using density functional theory with various van der Waals…

Single crystals of the compound LaFePO were prepared using a flux growth technique at high temperatures. Electrical resistivity measurements reveal metallic behavior and a resistive transition to the superconducting state at a critical…

We have investigated the surface and bulk electronic structures of the superconducting type-II Dirac semimetal 1T-PdSeTe. The superconducting transition temperature $T_C = 3.2$ K was almost twice as high as $T_C = 1.6$ K in 1T-PdTe$_2$.…

We present ab initio calculations of transport properties of atomic-sized aluminum contacts in the presence of oxygen. The experimental situation is modeled by considering a single oxygen atom (O) or one of the molecules O2 and O3 bridging…

The solid solution of antimonide-oxides Ba1-xKxTi2Sb2O (0 < x < 1) has been synthesized by solid-state reactions and characterized by X-ray powder diffraction (CeCr2Si2C-type structure; P4/mmm, Z = 1). The crystal structure consists of…

DC electrical degradation as a form of dielectric and resistance breakdown is a common phenomenon in thin-film devices including resistance-switching memory. To obtain design data and to probe the degradation mechanism, highly accelerated…

The electronic behavior of various solid metals (Al, Ni, Cu, Au, Ti, and W) under ultrashort laser irradiation is investigated by means of density functional theory. Successive stages of extreme nonequilibrium on picosecond time scale…

In the iron arsenide compound BaFe2As2, superconductivity can be induced either by a variation of its chemical composition, e.g., by replacing Fe with Co, or by a reduction of the unit-cell volume through the application of hydrostatic…

In the high-transition-temperature (high-Tc) superconductors the pseudogap phase becomes predominant when the density of doped holes is reduced1. Within this phase it has been unclear which electronic symmetries (if any) are broken, what…

Field evaporation from ionic or covalently bonded materials often leads to the emission of molecular ions. The metastability of these molecular ions, particularly under the influence of the intense electrostatic field (1010 Vm-1), makes…

Defects in the atomic lattice of solids are sometimes desired. For example, atomic vacancies, single ones or more elaborated defective structures, can generate localized magnetic moments in a non magnetic crystalline lattice. Increasing…

Dramatic evolution of properties with minute change in the doping level is a hallmark of the complex chemistry which governs cuprate superconductivity as manifested in the celebrated superconducting domes as well as quantum criticality…