Influence of next-nearest-neighbor electron hopping on the static and dynamical properties of the 2D Hubbard model

Comparing experimental data for high temperature cuprate superconductors with numerical results for electronic models, it is becoming apparent that a hopping along the plaquette diagonals has to be included to obtain a quantitative agreement. According to recent estimations the value of the diagonal hopping $t'$ appears to be material dependent. However, the values for $t'$ discussed in the literature were obtained comparing theoretical results in the weak coupling limit with experimental photoemission data and band structure calculations. The goal of this paper is to study how $t'$ gets renormalized as the interaction between electrons, $U$, increases. For this purpose, the effect of adding a bare diagonal hopping $t'$ to the fully interacting two dimensional Hubbard model Hamiltonian is investigated using numerical techniques. Positive and negative values of $t'$ are analyzed. Spin-spin correlations, $n(\bf{k})$, $\langle n\rangle$ vs $\mu$, and local magnetic moments are studied for values of $U/t$ ranging from 0 to 6, and as a function of the electronic density. The influence of the diagonal hopping in the spectral function $A(\bf{k},\omega)$ is also discussed, and the changes in the gap present in the density of states at half-filling are studied. We introduce a new criterion to determine probable locations of Fermi surfaces at zero temperature from $n(\bf{k})$ data obtained at finite temperature. It appears that hole pockets at ${\bf{k}}=(\pi/2,\pi/2)$ may be induced for negative $t'$ while a positive $t'$ produces similar features at ${\bf{k}}=(\pi,0)$ and $(0,\pi)$. Comparisons with the standard 2D Hubbard ($t'=0$) model indicate that a negative $t'$ hopping amplitude appears to be dynamically generated. In general, we conclude that it is very dangerous to extract a bare parameter of the Hamiltonian $(t')$ from PES data whereComment: 9 pages (RevTex 3.0), 12 figures (postscript), files packed with uufile

Pb0.4Bi1.6Sr2Ca1Cu2O8+xPb_{0.4}Bi_{1.6}Sr_{2}Ca_{1}Cu_{2}O_{8+x} and Oxygen Stoichiometry: Structure, Resistivity, Fermi Surface Topology and Normal State Properties

$Pb_{0.4}Bi_{1.6}Sr_2CaCu_2O_{8+x}$ ($Bi(Pb)-$2212) single crystal samples were studied using transmission electron microscopy (TEM), $ab-$plane ($\rho_{ab}$) and $c-$axis ($\rho_c$) resistivity, and high resolution angle-resolved ultraviolet photoemission spectroscopy (ARUPS). TEM reveals that the modulation in the $b-$axis for $Pb(0.4)-$doped $Bi(Pb)-$2212 is dominantly of $Pb-$type that is not sensitive to the oxygen content of the system, and the system clearly shows a structure of orthorhombic symmetry. Oxygen annealed samples exhibit a much lower $c-$axis resistivity and a resistivity minimum at $80-130$K. He-annealed samples exhibit a much higher $c-$axis resistivity and $d\rho_c/dT<0$ behavior below 300K. The Fermi surface (FS) of oxygen annealed $Bi(Pb)-$2212 mapped out by ARUPS has a pocket in the FS around the $\bar{M}$ point and exhibits orthorhombic symmetry. There are flat, parallel sections of the FS, about 60\% of the maximum possible along $k_x = k_y$, and about 30\% along $k_x = - k_y$. The wavevectors connecting the flat sections are about $0.72(\pi, \pi)$ along $k_x = k_y$, and about $0.80(\pi, \pi)$ along $k_x = - k_y$, rather than $(\pi,\pi)$. The symmetry of the near-Fermi-energy dispersing states in the normal state changes between oxygen-annealed and He-annealed samples.Comment: APS_REVTEX 3.0, 49 pages, including 11 figures, available upon request. Submitted to Phys. Rev. B

Electronic structure of CaCuO2 from the B3LYP hybrid density functional

Published versio

The ‘mosaic habitat’ concept in human evolution: past and present

The habitats preferred by hominins and other species are an important theme in palaeoanthropology, and the ‘mosaic habitat’ (also referred to as habitat heterogeneity) has been a central concept in this regard for the last four decades. Here we explore the development of this concept – loosely defined as a range of different habitat types, such as woodlands, riverine forest and savannah within a limited spatial area– in studies of human evolution in the last sixty years or so. We outline the key developments that took place before and around the time when the term ‘mosaic’ came to wider palaeoanthropological attention. To achieve this we used an analysis of the published literature, a study of illustrations of hominin evolution from 1925 onwards and an email survey of senior researchers in palaeoanthropology and related fields. We found that the term mosaic starts to be applied in palaeoanthropological thinking during the 1970’s due to the work of a number of researchers, including Karl Butzer and Glynn Isaac , with the earliest usage we have found of ‘mosaic’ in specific reference to hominin habitats being by Adriaan Kortlandt (1972). While we observe a steady increase in the numbers of publications reporting mosaic palaeohabitats, in keeping with the growing interest and specialisation in various methods of palaeoenvironmental reconstruction, we also note that there is a lack of critical studies that define this habitat, or examine the temporal and spatial scales associated with it. The general consensus within the field is that the concept now requires more detailed definition and study to evaluate its role in human evolution