Search results for "density [muon]"
showing 10 items of 313 documents
Optimizing density-functional simulations for two-dimensional metals
2022
Unlike covalent two-dimensional (2D) materials like graphene, 2D metals have non-layered structures due to their non-directional, metallic bonding. While experiments on 2D metals are still scarce and challenging, density-functional theory (DFT) provides an ideal approach to predict their basic properties and assist in their design. However, DFT methods have been rarely benchmarked against metallic bonding at low dimensions. Therefore, to identify optimal DFT attributes for a desired accuracy, we systematically benchmark exchange-correlation functionals from LDA to hybrids and basis sets from plane waves to local basis with different pseudopotentials. With 1D chain, 2D honeycomb, 2D square, …
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.
Fulde-Ferrell-Larkin-Ovchinnikov pairing in one-dimensional optical lattices
2008
Spin-polarized attractive Fermi gases in one-dimensional (1D) optical lattices are expected to be remarkably good candidates for the observation of the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) phase. We model these systems with an attractive Hubbard model with population imbalance. By means of the density-matrix renormalization-group method, we compute the pairing correlations as well as the static spin and charge structure factors in the whole range from weak to strong coupling. We demonstrate that pairing correlations exhibit quasi-long-range order and oscillations at the wave number expected from the FFLO theory. However, we also show by numerically computing the mixed spin-charge static …
Superlight small bipolarons from realistic long-range Coulomb and Fröhlich interactions
2011
We report analytical and numerical results on the two-particle states of the polaronic t-Jp model derived recently with realistic Coulomb and electron-phonon (Frohlich) interactions in doped polar insulators. Eigenstates and eigenvalues are calculated for two different geometries. Our results show that the ground state is a bipolaronic singlet, made up of two polarons. The bipolaron size increases with increasing ratio of the polaron hopping integral t to the exchange interaction Jp but remains small compared to the system size in the whole range 0<t/Jp<1. Furthermore, the model exhibits a phase transition to a superconducting state with a critical temperature well in excess of 100K. In the…
Supersolid-superfluid phase separation in the extended Bose-Hubbard model
2021
Recent studies have suggested a new phase in the extended Bose-Hubbard model in one dimension at integer filling [1,2]. In this work, we show that this new phase is phase-separated into a supersolid and superfluid part, generated by mechanical instability. Numerical simulations are performed by means of the density matrix renormalization group algorithm in terms of matrix product states. In the phase-separated phase and the adjacent homogeneous superfluid and supersolid phases, we find peculiar spatial patterns in the entanglement spectrum and string-order correlation functions and show that they survive in the thermodynamic limit. In particular, we demonstrate that the elementary excitatio…
Uniform analytic description of dephasing effects in two-state transitions
2007
We describe the effect of pure dephasing upon the time-dependent dynamics of two-state quantum systems in the framework of a Lindblad equation for the time evolution of the density matrix. A uniform approximate formula is derived, which modifies the corresponding lossless transition probability by an exponential factor containing the dephasing rate and the interaction parameters. This formula is asymptotically exact in both the diabatic and adiabatic limits; comparison with numerical results shows that it is highly accurate also in the intermediate range. Several two-state models are considered in more detail, including the Landau-Zener, Rosen-Zener, Allen-Eberly, and Demkov-Kunike models, …
The electron gas with short coherence length pairs: how to approach the stronger coupling limit?
2001
Abstract The attractive Hubbard model is investigated in 2D using a T -matrix approach. In a self-consistent calculation pairs as infinite lifetime Bosons only exist in the atomic limit and therefore a Fermi surface can be investigated also in the stronger coupling regime. A heavy quasiparticle peak with a weak dispersion crosses the Fermi surface at k F whereas light, single particle excitations do only exist far away from the Fermi surface. At low temperatures there seem to exist different self-consistent solutions. In one of them a pseudogap opens even in the integrated density of states. In the present work accurate k -dependent and k -integrated spectral quantities for a 2D finite latt…
Exact Numerical Treatment of Finite Quantum Systems Using Leading-Edge Supercomputers
2005
Using exact diagonalization and density matrix renormalization group techniques a finite-size scaling study in the context of the Peierls-insulator Mott-insulator transition is presented. Program implementation on modern supercomputers and performance aspects are discussed.
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…
Flat-band superconductivity in periodically strained graphene: mean-field and Berezinskii–Kosterlitz–Thouless transition
2019
In the search of high-temperature superconductivity one option is to focus on increasing the density of electronic states. Here we study both the normal and $s$-wave superconducting state properties of periodically strained graphene, which exhibits approximate flat bands with a high density of states, with the flatness tunable by the strain profile. We generalize earlier results regarding a one-dimensional harmonic strain to arbitrary periodic strain fields, and further extend the results by calculating the superfluid weight and the Berezinskii-Kosterlitz-Thouless (BKT) transition temperature $T_\text{BKT}$ to determine the true transition point. By numerically solving the self-consistency …