相关论文: Understanding Cu Incorporation in the $\mathrm{Cu_…

Charge redistribution at high-Tc superconductor interfaces and grain boundaries on the one hand is problematic for technological application. On the other hand, it gives rise to a great perspective for tailoring the local electronic states.…

Room temperature powder x-ray diffraction measurements have been carried out on polycrystalline samples of CuxV2O5 with x = 0.33, 0.40, 0.50, 0.55 and 0.60, prepared by solid state reaction in evacuated quartz tubes. All the samples were…

The importance of charge reservoir layers for supplying holes to the CuO$_2$ planes of cuprate superconductors has long been recognized. Less attention has been paid to the screening of the charge transfer by the intervening ionic layers.…

The phase diagram of Ca$_{2-x}$Sr$_x$RuO$_4$ has been studied by neutron diffraction on powder and single-crystalline samples. The experiments reveal antiferromagnetic order and structural distortions characterized by tilts and rotations of…

The graphene-graphite relationship in structural geometry is a basic principle to predict novel two-dimensional (2D) materials. Here, we demonstrate that this is not the case in binary metallic systems. We use the Bayesian optimization…

Extended defects such as stacking faults and anti-site domain boundaries can perturb the band edges in Cu$_2$ZnSnS$_4$ and Cu$_2$ZnSnSe$_4$, acting as a weak electron barrier or a source for electron capture, respectively. In order to find…

Density Functional Theory calculations are used to investigate the role of substrate-induced cooperative effects on the adsorption of water on a partially oxidized transition metal surface, O(2x2)/Ru(0001). Focussing particularly on the…

The crystalline structures of superionic high temperature copper selenides Cu$_{2-x}$Se ($0 \le x \le 0.25$) produced by Mechanical Alloying were investigated using X-ray diffraction (XRD) technique. The measured XRD patterns showed the…

CdTe and its alloy CdTeSe are widely used in optoelectronic devices, such as radiation detectors and solar cells, due to their superior electrical properties. However, the formation of defects and defect complexes in these materials can…

Bimetallic alloys have drawn extensive attentions in materials science due to their widespread applications in electronics, engineering and catalysis. A very fundamental question of alloy is its surface segregation phenomenon. Many recent…

Transport properties are systematically studied for the single crystals Cu$_{x}$TiSe$_{2}$ (0.015$\leq$x$\leq$0.110). Both of in-plane and out-of-plane resistivity show the coexistence of superconducting transition and charge density wave…

Hydrogen embrittlement is a prime cause of several degradation effects in metals. Since grain boundaries (GBs) act efficiently as sinks for hydrogen atoms, H is thought to segregate in these regions, affecting the local formation of…

Rare $d$-electron derived heavy-fermion properties of the solid-solution series LaCu$_3$Ru$_x$Ti$_{4-x}$O$_{12}$ were studied for $1 \leq x \leq 4$ by resistivity, susceptibility, specific-heat measurements, and magnetic-resonance…

The absolute values and temperature, T, dependence of the in-plane magnetic penetration depth, $\lambda_{ab}$, of La_{2-x}Sr_xCuO_4 and HgBa_2CuO_{4+\delta} have been measured as a function of carrier concentration. We find that the…

Resonant soft X-ray scattering with photon energies near the O K and the Cu L3 edges was used to study charge ordering in the system La_{1.8-x}Eu_{0.2}Sr_xCuO_4 as a function of temperature for x = 0.125 and 0.15. From the superstructure…

The electronic-structural modulations of Ir$_{1-x}$Pt$_x$Te$_2$ (0 $\leqq x\leqq$ 0.12) have been examined by resonant elastic x-ray scattering (REXS) and resonant inelastic x-ray scattering (RIXS) techniques at both the Ir and Te edges.…

Hydrogen is an efficient energy carrier that can be produced from renewable sources, enabling the transition towards CO2-free energy. Hydrogen can be stored for a long period in the solid-state, with suitable alloys. Ti-rich TiFe0.90…

X-ray diffraction indicates that the structure of the recently discovered room temperature carbonaceous sulfur hydride (C-S-H) superconductor is derived from previously established van der Waals compounds found in the H$_2$S-H$_2$ and…

Superconducting CuxBi2Se3 has attracted significant attention as a candidate topological superconductor. Besides inducing superconductivity, the introduction of Cu atoms to this material has also been observed to produce a number of unusual…

The lack of a mechanistic framework for chemical reactions forming inorganic extended solids presents a challenge to accelerated materials discovery. We demonstrate here a combined computational and experimental methodology to tackle this…