Search results for "electrons"
showing 10 items of 1325 documents
Semi-empirical supercell calculations for free- and bound-hole polarons in crystal
1997
Two different parametrizations of the semi-empirical method of the intermediate neglect of the differential overlap (INDO) are applied to the calculations of the small-radius hole polarons in the corundum crystal. The 80-atom supercell has been used for the study of the atomic and electronic structure of a free small-radius hole polaron (the self-trapped hole, STH) and a hole polaron bound by a Mg impurity (the so-called centre), respectively. Both parametrizations indicate that the two-site (quasi-molecular) configurations of both kinds of polaron have the lowest energy (which does not exclude the existence of one-site polarons also characterized by considerable relaxation energies). For c…
Pseudogap in high-temperature superconductors from realistic Fr\"ohlich and Coulomb interactions
2012
It has been recently shown that the competition between unscreened Coulomb and Fr\"{o}hlich electron-phonon interactions can be described in terms of a short-range spin exchange $J_p$ and an effective on-site interaction $\tilde{U}$ in the framework of the polaronic $t$-$J_p$-$\tilde{U}$ model. This model, that provides an explanation for high temperature superconductivity in terms of Bose-Einstein condensation (BEC) of small and light bipolarons, is now studied as a charged Bose-Fermi mixture. Within this approximation, we show that a gap between bipolaron and unpaired polaron bands results in a strong suppression of low-temperature spin susceptibility, specific heat and tunneling conducta…
High temperature superconductivity from realistic long-range Coulomb and Fr\"ohlich interactions
2012
In the last years ample experimental evidence has shown that charge carriers in high-temperature superconductors are strongly correlated but also coupled with lattice vibrations (phonons), signaling that the true origin of high-Tc superconductivity can only be found in a proper combination of Coulomb and electron-phonon interactions. On this basis, we propose and study a model for high-Tc superconductivity, which accounts for realistic Coulomb repulsion, strong electron-phonon (Fr\"ohlich) interaction and residual on-site (Hubbard \tilde{U}) correlations without any ad-hoc assumptions on their relative strength and interaction range. In the framework of this model, which exhibits a phase tr…
Melting the Superconducting State in the Electron Doped Cuprate Pr$_{1.85}% $Ce$_{0.15}$CuO$_{4-\delta}$ with Intense near-infrared and Terahertz Pul…
2016
We studied the superconducting (SC) state depletion process in an electron doped cuprate Pr$_{1.85}$Ce$_{0.15}$CuO$_{4-\delta}$ by pumping with near-infrared (NIR) and narrow-band THz pulses. When pumping with THz pulses tuned just above the SC gap, we find the absorbed energy density required to deplete superconductivity, $A_{dep}$, matches the thermodynamic condensation energy. Contrary, by NIR pumping $A_{dep}$ is an order of magnitude higher, despite the fact that the SC gap is much smaller than the energy of relevant bosonic excitations. The result implies that only a small subset of bosons contribute to pairing.
Realistic investigations of correlated electron systems with LDA + DMFT
2006
Conventional band structure calculations in the local density approximation (LDA) [1–3] are highly successful for many materials, but miss important aspects of the physics and energetics of strongly correlated electron systems, such as transition metal oxides and f-electron systems displaying, e.g., Mott insulating and heavy quasiparticle behavior. In this respect, the LDA + DMFT approach which merges LDA with a modern many-body approach, the dynamical mean-field theory (DMFT), has proved to be a breakthrough for the realistic modeling of correlated materials. Depending on the strength of the electronic correlation, a LDA + DMFT calculation yields the weakly correlated LDA results, a strong…
Conditions for static friction between flat crystalline surfaces
2000
The conditions for the presence of static friction between two atomically smooth crystalline surfaces are investigated. Commensurate and incommensurate walls are studied. While two commensurate walls always pin at zero lateral force and positive pressures, incommensurate walls only pin if mobile atoms are present in the interface between the surfaces or if the solids are particularly soft. Surprisingly, static friction can be observed between rigid surfaces, either commensurate or incommensurate, that are separated by a freely diffusing fluid layer.
Parallelization strategies for density matrix renormalization group algorithms on shared-memory systems
2003
Shared-memory parallelization (SMP) strategies for density matrix renormalization group (DMRG) algorithms enable the treatment of complex systems in solid state physics. We present two different approaches by which parallelization of the standard DMRG algorithm can be accomplished in an efficient way. The methods are illustrated with DMRG calculations of the two-dimensional Hubbard model and the one-dimensional Holstein-Hubbard model on contemporary SMP architectures. The parallelized code shows good scalability up to at least eight processors and allows us to solve problems which exceed the capability of sequential DMRG calculations.
Ultrafast Metamorphosis of a Complex Charge Density Wave in Tantalumdiselenite
2016
Using ultrafast electron diffraction, we record the transformation between a nearly-commensurate and an incommensurate charge-density-wave in 1T-TaS2, which takes place orders of magnitude faster than previously observed for commensurate-to-incommensurate transitions.
Dielectric relaxation and conductivity in ferroelectric perovskites
1996
Abstract Ferroelectric ABO3 perovskites are usually well known for their high dielectric susceptibility. Under selected impurity substitutions their conductivity may be strongly increased. The interaction between electronic conductivity and lattice polarizability may take place over different length scales. At high temperatures (T > 300 K), this interaction length is macroscopic leading to space charges. At low temperatures (T < 50 K), the polaronic interaction is restricted to a few unit cells. In the special case of SrTiO3, these polaronic excitons are sensitive to the quantum fluctuations which lead to the new concept of quantum polarons.
Ultrafast Metamorphosis of a Complex Charge-Density Wave
2015
Modulated phases, commensurate or incommensurate with the host crystal lattice, are ubiquitous in solids. The transition between such phases involves formation and rearrangement of domain walls and is generally slow. Using ultrafast electron diffraction, we directly record the photoinduced transformation between a nearly commensurate and an incommensurate charge-density-wave phase in 1T-TaS(2). The transformation takes place on the picosecond time scale, orders of magnitude faster than previously observed for commensurate-to-incommensurate transitions. The transition speed and mechanism can be linked to the peculiar nanoscale structure of the photoexcited nearly commensurate phase.