Search results for "impur"
showing 10 items of 349 documents
Zero-point excitation of a circularly moving detector in an atomic condensate and phonon laser dynamical instabilities
2020
We study a circularly moving impurity in an atomic condensate for the realisation of superradiance phenomena in tabletop experiments. The impurity is coupled to the density fluctuations of the condensate and, in a quantum field theory language, it serves as an analog of a detector for the quantum phonon field. For sufficiently large rotation speeds, the zero-point fluctuations of the phonon field induce a sizeable excitation rate of the detector even when the condensate is initially at rest in its ground state. For spatially confined condensates and harmonic detectors, such a superradiant emission of sound waves provides a dynamical instability mechanism leading to a new concept of phonon l…
Efficiency of quantum Monte Carlo impurity solvers for dynamical mean-field theory
2007
Since the inception of the dynamical mean-field theory, numerous numerical studies have relied on the Hirsch-Fye quantum Monte Carlo (HF-QMC) method for solving the associated impurity problem. Recently developed continuous-time algorithms (CT-QMC) avoid the Trotter discretization error and allow for faster configuration updates, which makes them candidates for replacing HF-QMC. We demonstrate, however, that a state-of-the-art implementation of HF-QMC (with extrapolation of discretization delta_tau -> 0) is competitive with CT-QMC. A quantitative analysis of Trotter errors in HF-QMC estimates and of appropriate delta_tau values is included.
Quantum critical point in a periodic Anderson model
2000
We investigate the symmetric Periodic Anderson Model (PAM) on a three-dimensional cubic lattice with nearest-neighbor hopping and hybridization matrix elements. Using Gutzwiller's variational method and the Hubbard-III approximation (which corresponds to the exact solution of an appropriate Falicov-Kimball model in infinite dimensions) we demonstrate the existence of a quantum critical point at zero temperature. Below a critical value $V_c$ of the hybridization (or above a critical interaction $U_c$) the system is an {\em insulator} in Gutzwiller's and a {\em semi-metal} in Hubbard's approach, whereas above $V_c$ (below $U_c$) it behaves like a metal in both approximations. These prediction…
Change of the vortex core structure in two-band superconductors at the impurity-scattering-driven s±/s++ crossover
2017
We report a nontrivial transition in the core structure of vortices in two-band superconductors as a function of interband impurity scattering. We demonstrate that, in addition to singular zeros of the order parameter, the vortices there can acquire a circular nodal line around the singular point in one of the superconducting components. It results in the formation of the peculiar “moat”-like profile in one of the superconducting gaps. The moat-core vortices occur generically in the vicinity of the impurity-induced crossover between s± and s++ states. peerReviewed
SPATIAL MULTIFRACTALITY OF ELECTRONIC STATES AND THE METAL-INSULATOR TRANSITION IN DISORDERED SYSTEMS
1993
For the investigation of the spatial behavior of electronic wave functions in disordered systems, we employ the Anderson model of localization. The eigenstates of the corresponding Hamiltonian are calculated numerically by means of the Lanczos algorithm and are analyzed with respect to their spatial multifractal properties. We find that the wave functions show spatial multifractality for all parameter cases not too far away from the metal-insulator transition (MIT) which separates localized from extended states in this model. Exactly at the MIT, multifractality is expected to exist on all length scales larger than the lattice spacing. It is found that the corresponding singularity spectrum…
Transport measurements in InSe under high pressure and high temperature: shallow-to-deep donor transformation of Sn related donor impurities
2003
We have investigated the temperature dependence of the transport parameters of Sn-doped InSe at different pressures, up to 2.5 GPa. A noticeable change in the temperature dependence of all the transport parameters has been observed above 1.2 GPa. This fact is explained by assuming the transformation of Sn shallow donors into deep donors at a hydrostatic pressure of 1.1 GPa, and by taking into account the transfer of electrons from the absolute minimum to higher energy minima in the conduction band. At ambient pressure, the position of the Sn deep level is estimated to lie 75 ± 20 meV above the absolute conduction-band minimum.
First-principles phonon calculations of Fe4+impurity in SrTiO3
2012
The results of hybrid density functional theory calculations on phonons in Sr(Fe(x)Ti(1-x))O(3) solid solution within the formalism of a linear combination of atomic orbitals are presented. The phonon density of states (DOS) calculated for 6.25% Fe(4+) impurities is reported and defect-induced phonon modes are identified. Based on our calculations and group-theoretical analysis, we suggest for the first time an interpretation of experimentally observed Raman- and IR-active modes.
Low temperature mobilities of 2-D electrons in indium selenide: Neutral and ionized impurity scattering
1992
Abstract Low temperature mobility of 2-D electrons in indium selenide is calculated, taking into account neutral and ionized impurity scattering. Two-dimensional electric subbands are originated due to quantum size effects, at both sides of thin ϵ-polytype layers, separated by two stacking faults from the bulk γ-InSe. Ionized impurities are in the ϵ-layer and then, spatially separated from 2-D electrons. Neutral impurities are adsorbed to stacking faults in the ϵ-γ interface. A relaxation time for dipole-like neutral impurity scattering is deduced. Calculated mobilities are compared to previous experimental results and the areal concentration of the neutral impurities is so estimated. The i…
Partial self-consistency and analyticity in many-body perturbation theory: Particle number conservation and a generalized sum rule
2016
We consider a general class of approximations which guarantees the conservation of particle number in many-body perturbation theory. To do this we extend the concept of $\Phi$-derivability for the self-energy $\Sigma$ to a larger class of diagrammatic terms in which only some of the Green's function lines contain the fully dressed Green's function $G$. We call the corresponding approximations for $\Sigma$ partially $\Phi$-derivable. A special subclass of such approximations, which are gauge-invariant, is obtained by dressing loops in the diagrammatic expansion of $\Phi$ consistently with $G$. These approximations are number conserving but do not have to fulfill other conservation laws, such…
<title>Large-scale first-principles calculations of Fe-doped SrTiO<formula><inf><roman>3</roman></inf></formul…
2003
The energy level positions in the optical gap and atomic geometry for the Fe4+ impurity substituting for a host Ti atom in SrTiO3 are calculated using the Unrestricted Hartree-Fock (UHF) method and supercells containing up to 320 atoms. In agreement with experiment, the high spin (S = 2) state is much lower in energy than the zero-spin state. The energy level positions strongly depend on the asymmetric displacements of six nearest O ions which is a combination of the Jahn-Teller and breathing modes. A considerable covalent bonding between the Fe ion and four nearest O ions takes place. We predict a strong dependence of optical absorption energies on the crystal compression or internal tensi…