Related papers: Different doping from apical and planar oxygen vac…
Band structure calculations are presented for large supercells of Ba$_2$CuO$_4$ (BCO) with O-vacancies in planar or apic al positions, and of superoxygenated La$_2$CuO$_4$ (LCO) with oxygen interstitials in the La$_2$O$_2$ layers. It is…
The structural and electronic properties of La$_{2-x}$Ba$_x$CuO$_4$ were investigated as a function of Ba-concentration $0 \leq x \leq 1.2$, within the virtual crystal approximation (VCA) by means of first-principles total-energy…
We have investigated the doping dependencies of the basal areas in single-layer high-T_c cuprates La_{2-x}Sr_xCuO_4 and HgBa_2CuO_x, as well as in two-layer Y_{1-y}Ca_yBa_2Cu_3O_x and HgBa_2CaCu_2O_x. The basal areas not only tend to shrink…
Oxygen doping dimples the CuO_2 planes of YBa_2Cu_3O_{6.8-6.92} by displacing copper normal to the planes and further towards Ba. The correlated oxygen displacements, however, are constrained to the in-plane axes. This displacement pattern…
Band calculations for the hole doped La$_2$CuO$_4$ system show that artificial periodicities of Ba dopants can give the material different properties than from a uniform distribution of dopants. A periodicity within the planes make static…
By considering both the average structural parameters obtained from Rietveld refinement of neutron powder diffraction data, and the local structural parameters obtained from the atomic pair distribution function, we have tested the recent…
The superconducting properties of high-\tc\ materials are functions of carriers concentration, which is controlled by the concentration of defects including heterovalent cations, interstitial oxygen ions, and oxygen vacancies. Here we…
To understand the link between doping and electronic properties in high temperature superconductors, we report first-principles calculations on the oxygen doping effect for the single layer cuprate HgBa$_2$CuO$_{4+\delta}$. The doping…
We report on resistivity and Hall measurements in thin films of the electron-doped superconducting cuprate Pr$_{2-x}$Ce$_{x}$CuO$_{4\pm\delta}$. Comparisons between x = 0.17 samples subjected to either ion-irradiation or oxygenation…
X-ray absorption in $\rm Sr_{2}CuO_{4-\delta}-La_{2}CuO_4$ (SCO-LCO) superlattices shows a variable occupation with doping of a hole state different from holes doped for $x \lesssim x_{optimal}$ in bulk $\rm La_{2-x}Sr_{x}CuO_4$ and…
We have investigated the doping and temperature dependences of the pseudogap/superconducting gap in the single-layer cuprate La$_{2-x}$Sr$_x$CuO$_4$ by angle-resolved photoemission spectroscopy. The results clearly exhibit two distinct…
We investigate the nature of the electronic ground state and electron-lattice couplings for doped chains of CuO_4 plaquettes or CuO_6 octahedra. The undoped configuration implies here Cu 3d^9 and O 2p^6 formal valence states. The results of…
An intact CuO$_2$ plane is widely believed to be a prerequisite for the high-$T_c$ superconductivity in cuprate superconductors. However, an exception may exist in the superconducting Ba$_2$CuO$_{3+\delta}$ materials where CuO chains play a…
We describe from advanced first principles calculations the energetics of oxygen doping and its relation to insulator-metal transitions in underdoped YBa$_2$Cu$_3$O$_{6+x}$. We find a strong tendency of doping oxygens to order into…
While both the hole and electron doped cuprates can exhibit $d_{x^2-y^2}$-wave superconductivity, the local distribution of the doped carriers is known to be significantly different with the doped holes going primarily on the O sites while…
Systematic Raman studies on several cuprates (YBa$_{\rm 2}$Cu$_{\rm 3}$O$_{\rm x}$, YBa$_{\rm 2}$Cu$_{\rm 4}$O$_{\rm 8}$ or Bi$_{\rm 2}$Sr$_{\rm 2}$CaCu$_{\rm 2}$O$_{\rm 8}$) have shown that at optimal doping the compounds are at the edge…
A microscopic theory is presented for the observed electronic disorder in superconducting Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$. The essential phenomenology is shown to be consistent with the existence of two types of interstitial oxygen…
We present local structural evidence supporting the presence of charge inhomogeneities in the CuO2 planes of underdoped La2-xSrxCuO4. High-resolution atomic pair distribution functions have been obtained from neutron powder diffraction data…
We have performed a temperature-dependent angle-integrated photoemission study of lightly-doped to heavily-overdoped La$_{2-x}$Sr$_{x}$CuO$_4$ and oxygen-doped La$_2$CuO$_{4.10}$. We found that both the magnitude $\Delta$* of the (small)…
The contribution of $O^{2-}$ ions to antiferromagnetism in $La_{2-x}Ae_xCuO_4$ ($Ae = Sr, Ba)$ is highly sensitive to doped holes. In contrast, the contribution of $Cu^{2+}$ ions to antiferromagnetism in $Nd_{2-x}Ce_xCuO_{4+y}$ is much less…