相关论文: Novel Copper Fluoride Analogs of Cuprates
Within a first principles framework, we study the electronic structure of the recently synthesized polymeric coordination compound Cu(II)-2,5-bis(pyrazol-1-yl)-1,4-dihydroxybenzene (CuCCP), which has been suggested to be a good realization…
It has been argued that the very high transition temperatures of the highest Tc cuprate superconductors are facilitated by enhanced CuO2 plane coupling through the (Bi,Tl,Hg)-O intermediary layers. Whether enhanced coupling through…
A systematic investigation has been performed by synthesis and comprehensive characterization of a series of SmFe1-xCuxAsO0.8F0.2 bulks (x = 0 to 0.2). These samples are well characterized by structural, Raman spectroscopy, microstructural,…
We review neutron scattering investigations of the crystal structures, magnetic structures, and spin dynamics of the iron-based RFe(As,P)O (R=La, Ce, Pr, Nd), (Ba,Sr,Ca)Fe2As2, and Fe1+x(Te-Se) systems. On cooling from room temperature all…
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…
The electron doping of undoped high-$T_c$ cuprates via the transfer of charge from manganites (or other oxides) using heterostructure geometries is here theoretically discussed. This possibility is mainly addressed via a detailed analysis…
A comprehensive angle resolved photoemission spectroscopy study of the band structure in single layer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole- and electron-doped…
The orbital, lattice, and spin ordering phenomena in KCuF3 are investigated by means of LDA+U calculations, based on ab-initio pseudopotentials.We examine the Cu-3d orbital ordering and the associated Jahn-Teller distortion in several…
The simultaneous interplay of strong electron-electron correlations, topological zero-energy states, and disorder is yet an unexplored territory but of immense interest due to their inevitable presence in many materials. Copper oxide…
We used femtosecond optical pump-probe spectroscopy to study the photoinduced change in reflectivity of thin films of the electron-doped cuprate La$_{2-x}$Ce$_x$CuO$_4$ (LCCO) with dopings of x$=$0.08 (underdoped) and x$=$0.11 (optimally…
The first-principles calculations have been performed to investigate the ground state properties of cubic scandium trifluoride (ScF$_3$) perovskite. Using modified hybrid exchange-correlation functionals within the density functional theory…
The low-energy electronic structure of the trilayer cuprate superconductor Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10+\delta}$ near optimal doping is investigated by angle-resolved photoemission spectroscopy. The normal state quasiparticle dispersion…
We have successfully synthesized S = 1/2 kagome antiferromagnets MCu3(OH)6Cl2 (M = Ni and Co) by hydrothermal method with rotating pressure vessel. Structural characterization shows that both compounds have the similar crystal structure as…
Metal-organic frameworks (MOFs), which are self-assemblies of metal ions and organic ligands, provide a tunable platform to search a new state of matter. A two-dimensional (2D) perfect kagome lattice, whose geometrical frustration is a key…
Recent neutron scattering measurements indicate that NaFe$_{1-x}$Cu$_{x}$As forms an antiferromagnetic stripe phase near $x\approx 0.5$ in a Mott insulating state. This copper concentration is well in excess of that required for…
We use neutron scattering to study the structural and magnetic phase transitions in the iron pnictides CeFeAsO1-xFx as the system is tuned from a semimetal to a high-transition-temperature (high-Tc) superconductor through Fluorine (F)…
Molecular dynamics simulations combined with periodic electronic structure calculations are performed to decipher structural, thermodynamical and dynamical properties of the interfaced vs. confined water adsorbed in hexagonal 1D channels of…
In order to improve the hydrogen storage properties of calcium hydride (CaH2), we have tuned its thermodynamical properties through fluorination. Using ab-initio total energy calculations based on density functional theory, the structural…
The recent discovery of superconductivity at high pressure in the two-leg ladder compounds BaFe$_2X_3$ ($X$=S, Se) started the novel field of quasi-one-dimensional iron-based superconductors. In this publication, we use Density Functional…
The magnetic susceptibility and magnetization of two new layered S=1/2 Heisenberg antiferromagnets with moderate exchange are reported. The two isostructural compounds, (2-amino-5-chloropyridinium)2CuBr4 ((5CAP)2CuBr4) and…