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

We report the characterization of layered, 2H-type CuxTaS2, for x between 0 and 0.12. The charge density wave (CDW), at 70 K for TaS2, is destabilized with Cu doping. The sub-1K superconducting transition in undoped 2H-TaS2 jumps quickly to…

This work investigates solute transport due to self-interstitial defects and radiation induced segregation tendencies in dilute ferritic alloys, by computing the transport coefficients of each system based on ab initio calculations of…

Understanding charge transfer (CT) between two chemical entities and subsequent change in their charge densities is essential not only for molecular species but also for various low-dimensional materials. Because of their extremely high…

In the cuprate superconductors, the spatial coherence of the charge density wave (CDW) state grows rapidly below a characteristic temperature $T_\mathrm{CDW}$, the nature of which is debated. We have combined a set of x-ray scattering…

We have experimentally determined the lateral registry and geometric structure of free-base porphine (2H-P) and copper-metalated porphine (Cu-P) adsorbed on Cu(111), by means of energy-scanned photoelectron diffraction (PhD), and compared…

We have performed bulk measurements such as dc magnetic susceptibility, electrical resistivity and heat capacity on the pseudo-ternary alloys Lu$_5$Ir$_4$(Si$_{1-x}$Ge$_x$)$_{10}$ to study the interplay and competition between…

Identifying an appropriate exchange-correlation functional and computational conditions is essential for explaining the fundamental physics of materials and predicting their properties. Here, we investigate the performance of the meta-GGA…

Manganese ferrite (MnFe2O4) and copper doped manganese ferrite (Mn0.75Cu0.25Fe2O4) soft materials were synthesized through solid-state sintering method. The phase purity and quality were confirmed from x-ray diffraction patterns. Then the…

We studied the surface properties of Ga-Cu based liquid metal alloys, a promising material system for supported catalytically active liquid metal solutions (SCALMS). The impact of Cu dilution in the (liquid) Ga matrix is in-detail…

We report coexistence of bulk superconductivity and charge density wave (CDW) with superconducting critical temperature Tc = 3.8 K in Cu intercalated quasi-two-dimensional crystals of ZrTe3. The Cu intercalation results in the expansion of…

We present a systematic study of the perovskite-related system La2-xSrxCu1-yRuyO4 using Cu-L2,3, Ru-L2,3, and O-K x-ray absorption spectroscopy (XAS). This system can be regarded as a solid solution of the two superconductors La2-xSrxCuO4…

Combining quasistatic and time-resolved transport measurements with X-ray and neutron diffraction experiments we study the non-equilibrium states that arise in pure and in Ti substituted Ca$_2$RuO$_4$ under the application of current…

Non-magnetic impurities in iron-based superconductors can provide an important tool to understand the pair symmetry and they can influence significantly the transport and the superconducting behaviour. Here, we present a study of the role…

Nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) of Cu have been measured in a coupled spin dimers and chains compound Cu2Fe2Ge4O13. Cu NQR has also been measured in an isostructural material Cu2Sc2Ge4O13 including…

Metal-insulator transition in Ca_{1-x}Li_xPd_3O_4 has been studied through charge transport measurements. The resistivity, the Seebeck coefficient, and the Hall coefficient are consistently explained in terms of a simple one-band picture,…

We present a systematic and comparative study of the structural and electronic properties of Cu-based ternary and quaternary semiconductors using first-principles electronic structure approaches. The important role that Cu d electrons play…

Copper is a detrimental impurity in silicon with high diffusivity and a high tendency to precipitate. Interaction between Cu and other defects is essential for understanding the nature of Cu precipitation in silicon. Despite extensive…

Knowledge of the atomic geometry of a surface is a prerequisite for any detailed understanding of the surface's electronic structure and chemical properties. Previous studies have convincingly demonstrated that density functional theory…

We present and discuss results of a density functional theory (DFT) study of a perfect UO2 crystals and He atoms in octahedral interstitial positions. We have calculated basic bulk crystal properties and He incorporation energies into the…

In this study, we determined the effect of doping with the noble metal Ag on Ir$_2$Te$_4$ superconductors. Based on the resistivity, magnetization, and heat capacity, we explored the changes in the superconductivity and charge density wave…