Related papers: The O-M-O triatomic molecule: Basic unit of cuprat…
Optical control over elementary molecular vibration establishes fundamental capabilities for exploiting the broad range of optical linear and nonlinear phenomena. However, experimental demonstration of the coherently driven molecular…
There is a growing understanding that transport properties of complex oxides and individual molecules are dominated by polaron physics. In superconducting oxides the long-range Froehlich and short-range Jahn-Teller electron-phonon…
In the R1/2D1/2MnO3 manganites (R: rare earth, D: divalent cation), the structural phase transition at Tco is commonly interpreted as a concomitant charge and orbital ordering (CO/OO) process driven by a cooperative Jahn-Teller effect and…
We combine two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, to determine the equation of state of magnesium oxide in the regime of warm dense matter, with…
Using the Tc formula given by BCS, together with a shear modulus varying with the numbering of planes, we can demonstrate that Tc oscillates depending on the number of the cuprate planes. The maximum of Tc in these oscillations appears for…
There are views prevalent in the noncovalent chemistry literature that i) the O atom in molecules cannot form a chalcogen bond, and ii) if formed, this bond is very weak. We have shown in this study that these views are not necessarily true…
Many compounds based on CuO_2 planes (cuprates) super-conduct below a critical temperature Tc. Some of them show a second phase where a spontaneous static magnetic field appears below a critical temperature Tg, which is lower then Tc. By…
We present a theoretical framework for understanding the behavior of the normal and superconducting states of overdoped cuprate high temperature superconductors in the vicinity of the doping-tuned quantum superconductor-to-metal transition.…
We have studied the orbital ordering (OO) in La0.5Sr1.5MnO4 and its soft x-ray resonant diffraction spectroscopic signature at the Mn L2, L3 edges. We have modelled the system in second quantization as a small planar cluster consisting of a…
Ultracold collisions of polar OH molecules are considered in the presence of an electrostatic field. The field exerts a strong influence on both elastic and state-changing inelastic collision rate constants, leading to clear experimental…
The new layered manganese oxychalcogenides (LaO)$_2$Mn$_2$Se$_2$O and (BaF)$_2$Mn$_2$Se$_2$O, isostructural to (LaO)$_2$Fe$_2$Se$_2$O, were synthesized by using solid state reaction. The single crystals of former compound were also…
The locally self-consistent real space multiple scattering technique has been applied to calculate the electronic structure and chemical binding for the c(2x2)O/Cu(001) system, as a function of $d_{O-Cu1}$ -- the height of oxygen above the…
The present work focuses on Oxygen-Oxygen (O-O) collisions, which are planned at the CERN Large Hadron Collider. Oxygen, being a doubly magic number nucleus, has some very unique features. This study attempts to probe the exotic state of…
High-temperature superconductivity in cuprates remains one of the enduring puzzles of condensed matter physics, with charge order (CO) playing a central yet elusive role, particularly in the overdoped regime. Here, we employ time-resolved…
The interlayer tunneling mechanism of the cuprate high temperature superconductors involves a conversion of the confinement kinetic energy of the electrons perpendicular to the CuO-planes ($c$-axis) in the normal state to the pair binding…
Superconducting cuprates and pnictides composed of CuO2 or AsFe planes respectively with intercalated insulating layers, are at the crossroads of three families of crystalline solids: metals, doped Mott insulators, and ferroelectrics. In…
A hypothetical layered oxide La_2NiMO_6 where NiO_2 and MO_2 planes alternate along the c-axis of ABO_3 perovskite lattice is considered theoretically. Here, M denotes a trivalent cation Al, Ga,... such that MO_2 planes are insulating and…
The standard model of Mn doping in GaAs is subjected to a coherent potential approximation (CPA) treatment. Transport coefficients are evaluated within the linear response Kubo formalism. Both normal (NHE) and anomalous contributions (AHE)…
The nature of the superconducting (SC) precursor in the cuprates has been the subject of intense interest, with profound implications for both the normal and the SC states. Different experimental probes have led to vastly disparate…
Possible candidates for the Mg2B3Ox nanostructures observed in bulk of polycrystalline MgB2 (Ref.1) have been studied using a combination of Z-contrast imaging, electron energy loss spectroscopy (EELS) and first-principles calculations. The…