Related papers: Interplay between local structure and electronic p…

Recent developments in high-temperature superconductivity highlight a generic tendency of the cuprates to develop competing electronic (charge) supermodulations. While coupled to the lattice and showing different characteristics in…

We investigate the changes in the electronic structure of copper phthalocyanine (CuPc) crystals that is caused by intercalation with potassium. This is done by means of {\it ab initio} LSDA and LSDA+U calculations of the electronic…

First-principle based molecular-dynamics simulations have been performed for binary Cu$_x$Ti$_{1-x}$ (x = 0.31, 0.50, and 0.76) alloys to investigate the relationship between local structure and dynamical properties in the liquid and…

The structural and magnetic properties of Co$_{18-m}$Cu$_m$ ($0\leq m\leq 18$) clusters are investigated with a genetic algorithm and a $spd$-band model Hamiltonian in the unrestricted Hartree-Hock approximation respectively. In general, Cu…

We report on the Cu 1s resonant inelastic X-ray scattering (RIXS) of Cu-O one-dimensional (1D) strongly correlated insulator systems with contrasting atomic arrangements, namely edge-sharing CuGeO3 and corner-sharing Sr2CuO3. Owing to good…

Nuclear magnetic resonance (NMR) measurements of CuO chains of detwinned Ortho-II YBa$_2$Cu$_3$O$_{6.5}$ (YBCO6.5) single crystals reveal unusual and remarkable properties. The chain Cu resonance broadens significantly, but gradually, on…

All underdoped high-temperature cuprate superconductors appear to exhibit charge density wave (CDW) order, but both the underlying symmetry breaking and the origin of the CDW remain unclear. We use X-ray diffraction to determine the…

The magnetic and structural properties of single crystal Fe$_{1-x}$Co$_x$V$_2$O$_{4}$ samples have been investigated by performing specific heat, susceptibility, neutron diffraction, and X-ray diffraction measurements. As the orbital-active…

The magnetic structure of the antiferromagnetic square cupola compound Ba(TiO)Cu$_4$(PO$_4$)$_4$ with the tetragonal structure is studied with 31P nuclear magnetic resonance techniques. The magnetic hyperfine shift K shows a clear splitting…

Vitreous GeO$_2$ has been compressed at high temperature, to investigate the effect of thermal activation on the structural reorganization during compression. The measurements were performed in-situ using micro Raman spectroscopy under…

The cuprate superconductor La$_{2-x}$Ba$_x$CuO$_4$ (LBCO) near $x=0.125$ is a striking example of intertwined electronic orders, where 3D superconductivity is anomalously suppressed, allowing spin and charge stripe order to develop, in a…

We have studied the correlation between the structural distortion and the electronic/magnetic properties in single-crystalline (Lu,Sc)Fe$_2$O$_4$ (Sc=0.05 and 0.3) by using X-ray diffraction (XRD), magnetic susceptibility, and X-ray…

The local structure of La2-xSrxCuO4, for 0 < x < 0.30, has been investigated using the atomic pair distribution function (PDF) analysis of neutron powder diffraction data. The local octahedral tilts are studied to look for evidence of [110]…

We present a joint experimental and theoretical study of the electronic structure of the cuprate chain systems A_(1-x)CuO_2 (A=Ca,Sr,Ba), as measured using O-K and Cu-L_3 x-ray absorption spectroscopy. The doping-dependent behaviour in…

Grain boundaries (GBs) in metals usually increase electrical resistivity due to their distinct atomic arrangement compared to the grain interior. While the GB structure has a crucial influence on the electrical properties, its relationship…

We report a comprehensive Cu L$_3$-edge resonant x-ray scattering study of two- and three-dimensional (2D and 3D) incommensurate charge correlations in single crystals of the underdoped high-temperature superconductor…

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…

The structural origin of Cu+ ions conductivity in Cu6PS5I single crystals is described in terms of structural phase transitions studied by X-ray diffraction, polarizing microscope and calorimetric measurements. Below the phase transition at…

The structure, vibrational dynamics and thermodynamics of a chiral surface, Cu(532), has been calculated using a local approach and the harmonic approximation, with interatomic potentials based on the embedded atom method. The relaxation of…

The magnetic and lattice properties of the $S$=1/2 quantum-spin-chain ferromagnet, CuAs$_2$O$_4$, mineral name trippkeite, were investigated. The crystal structure of CuAs$_2$O$_4$ is characterized by the presence of corrugated CuO$_2$…