相关论文: Cation vacancy order in the K0.8+xFe1.6-ySe2 syste…

The recent discovery and subsequent developments of FeAs-based superconductors have presented novel challenges and opportunities in the quest for superconducting mechanisms in correlated-electron systems. Central issues of ongoing studies…

At ambient temperatures, CeRuSn exhibits an extraordinary structure with a coexistence of two types of Ce ions in a metallic environment, namely trivalent Ce3+ and intermediate valent Ce(4-x)+. Charge ordering produces a doubling of the…

Concentrated solid--solution alloys (CSAs) in single--phase form have recently garnered considerable attention owing to their potential for exceptional irradiation resistance. This computational study delves into the intricate interplay of…

Possibility of an axial vector isoscalar tetraquark $ud\bar{s}\bar{s}$ is discussed. If a $f_1$ meson in the mass region $1.4-1.5$ GeV consists of four quarks $ns\bar{n}\bar{s}$, the mass of the isoscalar…

The influence of a partial substitution with S, Te, Co, Ni and Cu atoms on the electronic structure of the FeSe superconductor has been investigated within the density functional theory. The results of the supercell calculations reveal…

The finding of superconductivity in Ba0.6K0.4Fe2As2 put the attention on the investigation of compounds that crystallize with ThCr2Si2 structure type such as AT2X2 (A = alkali/ alkaline earth/ rare earth element; T = transition metal and X…

Although crystalline solids are characterized by their periodic structures, some are only periodic on average and deviate on a local scale. Distinct local orderings can exist with identical periodic structures making their differences…

Intermetallic type-I clathrates continue to attract attention as promising thermoelectric materials. Here we present structural and thermoelectric properties of single crystalline Ba8(Cu,Ga,Ge,v)46, where v denotes a vacancy. By single…

Low energy Raman scattering of the s=1/2 spin tetrahedra system Cu_2Te_2O_5Br_2 is dominated by an excitation at 18 cm^{-1} corresponding to an energy E_S=0.6\Delta, with \Delta the spin gap of the compound. For elevated temperatures this…

The Fe-O system is fundamental to understanding the composition and properties of the Earth's core. Recent studies have suggested the possible existence of stable, iron-rich FenO compounds at around 215 GPa. Here, we performed…

The high-Tc alkali doped iron selenide superconductors KxFe{2-y}Se2 have been recently shown to be intrinsically phase separated into Fe vacancy ordered block antiferromagnetic regions and superconducting regions at low temperatures. In…

Oxygen vacancies in the perovskite insulator SrTiO$_3$ free electrons that couple with other physical degrees of freedom such as lattice, orbital, and spin. This leads to the emergence of exotic quantum states such as superconductivity and…

The structure and properties of vacancies in a 2 nm Si nano-crystal are studied using a real space density functional theory/pseudopotential method. It is observed that a vacancy's electronic properties and energy of formation are directly…

The effect of rare-earth ions (R = Er$_3^+$, Tb$_3^+$, and Ce$_{3.75}^+$) on the dielectric properties and the electric polarization induced by local polar phase separation domains in solid solutions of R$_{0.8}$Ce$_{0.2}$Mn$_2$O$_5$ (R =…

We present first-principles studies on the orbital states of the layered perovskites Ca$_{2-x}$Sr$_x$RuO$_4$. The crossover from antiferromagnetic (AF) Mott insulator for $x < 0.2$ to nearly ferromagnetic (FM) metal at $x=0.5$ is…

Defects are believed to play a fundamental role in the supersolid state of 4He. We have studied solid 4He in two dimensions (2D) as function of the number of vacancies n_v, up to 30, inserted in the initial configuration at rho = 0.0765…

In the studied crystals of FeSe0.7 Te0.3 , a structural phase transition occurs in two stages. At higher temperatures, the electronic subsystem undergoes a reconstruction, leading to a significant increase in elastoresistance. 77 Se NMR…

MSr2Y1.5Ce0.5Cu2Oz (M-1222) compounds, with M = Fe and Co, have been synthesized through a solid-state reaction route. Both compounds crystallize in a tetragonal structure (space group I4/mmm). A Rietveld structural refinement of…

We have studied electronic and magnetic properties of the K0.8Fe1.6Se2 superconductor by x-ray absorption and emission spectroscopy. Detailed temperature dependent measurements alongwith a direct comparison with the binary FeSe system have…

Here we employ both Fe K and L2,3 edge x-ray absorption near-edge structure (XANES) spectroscopy techniques to clarify that iron in the B-site ordered double-perovskite halfmetal, Sr2FeMoO6.0, possesses a mixed-valence state, FeII/III, and…