Accurate quadratic-response approximation for the self-consistent pseudopotential of semiconductor nanostructures

Quadratic-response theory is shown to provide a conceptually simple but accurate approximation for the self-consistent one-electron potential of semiconductor nanostructures. Numerical examples are presented for GaAs/AlAs and InGaAs/InP (001) superlattices using the local-density approximation to density-functional theory and norm-conserving pseudopotentials without spin-orbit coupling. When the reference crystal is chosen to be the virtual-crystal average of the two bulk constituents, the absolute error in the quadratic-response potential for Gamma(15) valence electrons is about 2 meV for GaAs/AlAs and 5 meV for InGaAs/InP. Low-order multipole expansions of the electron density and potential response are shown to be accurate throughout a small neighborhood of each reciprocal lattice vector, thus providing a further simplification that is confirmed to be valid for slowly varying envelope functions. Although the linear response is about an order of magnitude larger than the quadratic response, the quadratic terms are important both quantitatively (if an accuracy of better than a few tens of meV is desired) and qualitatively (due to their different symmetry and long-range dipole effects).Comment: 16 pages, 20 figures; v2: new section on limitations of theor

Topological conditions for discrete symmetry breaking and phase transitions

In the framework of a recently proposed topological approach to phase transitions, some sufficient conditions ensuring the presence of the spontaneous breaking of a Z_2 symmetry and of a symmetry-breaking phase transition are introduced and discussed. A very simple model, which we refer to as the hypercubic model, is introduced and solved. The main purpose of this model is that of illustrating the content of the sufficient conditions, but it is interesting also in itself due to its simplicity. Then some mean-field models already known in the literature are discussed in the light of the sufficient conditions introduced here

Electron-phonon interaction in the solid form of the smallest fullerene C20_{20}

The electron-phonon coupling of a theoretically devised carbon phase made by assembling the smallest fullerenes C$_{20}$ is calculated from first principles. The structure consists of C$_{20}$ cages in an {\it fcc} lattice interlinked by two bridging carbon atoms in the interstitial tetrahedral sites ({\it fcc}-C$_{22}$). The crystal is insulating but can be made metallic by doping with interstitial alkali atoms. In the compound NaC$_{22}$ the calculated coupling constant $\lambda/N(0)$ is 0.28 eV, a value much larger than in C$_{60}$, as expected from the larger curvature of C$_{20}$. On the basis of the McMillan's formula, the calculated $\lambda$=1.12 and a $\mu^*$ assumed in the range 0.3-0.1 a superconducting T$_c$ in the range 15-55 K is predicted.Comment: 7 page

First-principles envelope-function theory for lattice-matched semiconductor heterostructures

In this paper a multi-band envelope-function Hamiltonian for lattice-matched semiconductor heterostructures is derived from first-principles norm-conserving pseudopotentials. The theory is applicable to isovalent or heterovalent heterostructures with macroscopically neutral interfaces and no spontaneous bulk polarization. The key assumption -- proved in earlier numerical studies -- is that the heterostructure can be treated as a weak perturbation with respect to some periodic reference crystal, with the nonlinear response small in comparison to the linear response. Quadratic response theory is then used in conjunction with k.p perturbation theory to develop a multi-band effective-mass Hamiltonian (for slowly varying envelope functions) in which all interface band-mixing effects are determined by the linear response. To within terms of the same order as the position dependence of the effective mass, the quadratic response contributes only a bulk band offset term and an interface dipole term, both of which are diagonal in the effective-mass Hamiltonian. Long-range multipole Coulomb fields arise in quantum wires or dots, but have no qualitative effect in two-dimensional systems beyond a dipole contribution to the band offsets.Comment: 25 pages, no figures, RevTeX4; v3: final published versio

Effect of inter-well interactions on non-linear beam splitters for matter-wave interferometers

We study the non-linear beam splitter in matter-wave interferometers using ultracold quantum gases in a double-well configuration in presence of non-local interactions inducing inter-well density-density coupling, as they can be realized, e.g., with dipolar gases. We explore this effect after considering different input states, in the form of either coherent, or Twin-Fock, or NOON states. We first review the non-interacting limit and the case in which only the local interaction is present, including the study of sensitivity near the self-trapping threshold. Then, we consider the two-mode model in the presence of inter-well interactions and consider the scaling of the sensitivity as a function of the non-local coupling strength. Our analysis clearly shows that non-local interactions can compensate the degradation of the sensitivity induced by local interactions, so that they may be used to restore optimal sensitivity

Tree-ring–based summer mean temperature variations in the Adamello–Presanella Group (Italian Central Alps), 1610–2008 AD

Abstract. Climate records from remote mountain sites and for century-long periods are usually lacking for most continents and also for the European Alps. However, detailed reconstructions of climate parameters for pre-instrumental periods in mountain areas, suffering of glacial retreat caused by recent global warming, are needed in the view of a better comprehension of the environmental dynamics. We present here the first annually-resolved reconstruction of summer (JJA) mean temperature for the Adamello–Presanella Group (Central European Alps), one of the most glaciated mountain groups of the Italian Central Alps. The reconstruction has been based on four larch tree-ring width chronologies derived from living trees sampled in four valleys surrounding the Group. The reconstruction spans from 1610 to 2008 and the statistical verification of the reconstruction demonstrates the positive skill of the tree-ring dataset in tracking summer temperature variability also in the recent period

Quadratic response theory for spin-orbit coupling in semiconductor heterostructures

This paper examines the properties of the self-energy operator in lattice-matched semiconductor heterostructures, focusing on nonanalytic behavior at small values of the crystal momentum, which gives rise to long-range Coulomb potentials. A nonlinear response theory is developed for nonlocal spin-dependent perturbing potentials. The ionic pseudopotential of the heterostructure is treated as a perturbation of a bulk reference crystal, and the self-energy is derived to second order in the perturbation. If spin-orbit coupling is neglected outside the atomic cores, the problem can be analyzed as if the perturbation were a local spin scalar, since the nonlocal spin-dependent part of the pseudopotential merely renormalizes the results obtained from a local perturbation. The spin-dependent terms in the self-energy therefore fall into two classes: short-range potentials that are analytic in momentum space, and long-range nonanalytic terms that arise from the screened Coulomb potential multiplied by a spin-dependent vertex function. For an insulator at zero temperature, it is shown that the electronic charge induced by a given perturbation is exactly linearly proportional to the charge of the perturbing potential. These results are used in a subsequent paper to develop a first-principles effective-mass theory with generalized Rashba spin-orbit coupling.Comment: 20 pages, no figures, RevTeX4; v2: final published versio