arXiv subjects

Daniela Pfannkuche

Publications and source records attributed to Daniela Pfannkuche.

At least 19 recordsLinked to original sources

arXiv2021

Brown-Zak and Weiss oscillations in a gate-tunable graphene superlattice: A unified picture of miniband conductivity

Electrons exposed to a two-dimensional (2D) periodic potential and a uniform, perpendicular magnetic field exhibit a fractal, self-similiar energy spectrum known as the Hofstadter butterfly. Recently, related high-temperature quantum oscillations (Brown-Zak oscillations) were discovered in graphene moir\'{e} systems, whose origin lie in the repetitive occurrence of extended minibands/magnetic Bloch states at rational fractions of magnetic flux per unit cell giving rise to an increase in band conductivity. In this work, we report on the experimental observation of band conductivity oscillations in an electrostatically defined and gate-tunable graphene superlattice, which are governed both by the internal structure of the Hofstadter butterfly (Brown-Zak oscillations) and by a commensurability relation between the cyclotron radius of electrons and the superlattice period (Weiss oscillations). We obtain a complete, unified description of band conductivity oscillations in two-dimensional superlattices, yielding a detailed match between theory and experiment.

cond-mat.mes-hall↗

arXiv2019

Ultrafast ab-initio Quantum Chemistry Using Matrix Product States

Ultrafast dynamics in chemical systems provide a unique access to fundamental processes at the molecular scale. A proper description of such systems is often very challenging because of the quantum nature of the problem. The concept of matrix product states (MPS), however, has proven its performance in describing such correlated quantum system in recent years for a wide range of applications. In this work, we continue the development of the MPS approach to study ultrafast electron dynamics in quantum chemical systems. The method combines time evolution schemes, such as fourth-order Runge-Kutta and Krylov space time evolution, with MPS, in order to solve the time-dependent Schrödinger equation efficiently. This allows for describing electron dynamics in molecules on a full configurational interaction (CI) level for a few femtoseconds after excitation. As a benchmark, we compare MPS based calculations to full CI calculations for a chain of hydrogen atoms and for the water molecule. Krylov space time evolution is in particular suited for the MPS approach, as it provides a wide range of opportunities to be adjusted to the reduced MPS dimension case. Finally, we apply the MPS approach to describe charge migration effects in iodoacetylene and find direct agreement between our results and experimental observations.

physics.chem-ph↗

arXiv2016

Ultrafast charge redistribution in small iodine containing molecules

The competition between intra molecular charge redistribution and fragmentation has been studied in small molecules containing iodine by using intense ultrashort pulses in the extreme ultraviolet regime (XUV). We show that after an element specific inner-shell photoionization of diiodomethane (CH$_2$I$_2$) and iodomethane (CH$_3$I), the induced positive charge is redistributed with a significantly different efficiency. Therefore, we analyze ion time-of-flight data obtained from XUV-pump XUV-probe experiments at the Free Electron Laser in Hamburg (FLASH). Theoretical considerations on the basis of ab initio electronic structure calculations including correlations relate this effect to a strongly molecule specific, purely electronic charge redistribution process that takes place directly after photoionization causing a distribution of the induced positive charge predominantly on the atoms which exhibit the lowest atomic ionization potential, i.e, in the molecules considered, the iodine atom(s). As a result of the very different initial charge distributions, the fragmentation timescales of the two molecules experimentally observed are strikingly different.

physics.chem-ph↗

arXiv2016

Exceptionally strong correlation-driven charge migration and attosecond transient absorption spectroscopy

We investigate theoretically charge migration following prompt double ionization of a polyatomic molecule (C$_2$H$_4$BrI) and find that for double ionization, correlation-driven charge migration appears to be particularly prominent, i.e., we observe exceptionally rich dynamics solely driven by the electron-electron interaction even in the situation when the electrons are emitted from outer-valence orbitals. These strongly correlated electron dynamics are witnessed in the theoretically determined time-resolved transient absorption cross section. Strikingly, features in the cross section can be traced back to electron hole populations and time-dependent partial charges and hence, can be interpreted with surprising ease. Remarkably, by taking advantage of element specific core-to-valence transitions, the hole population dynamics can be followed both in time and space. With this, not only do we report the high relevance of correlation-driven charge migration following double ionization but our findings also highlight the outstanding role of attosecond transient absorption spectroscopy (ATAS) as one of the most promising techniques for monitoring ultrafast electron dynamics in complex molecular systems.

physics.chem-ph↗

arXiv2015

Multi-electron dynamics in the tunnel ionization of correlated quantum systems

The importance of multi-electron dynamics during the tunnel ionization of a correlated quantum system is investigated. By comparison of the solution of the time-dependent Schrödinger equation (TDSE) with the time-dependent configuration interaction singles approach (TDCIS), we demonstrate the importance of a multi-electron description of the tunnel ionization process especially for weakly confined quantum systems. Within this context, we observe that adiabatic driving by an intense light field can even enhance the correlations between still trapped electrons.

physics.atom-ph↗

arXiv2014

Symmetry effects on spin switching of adatoms

Highly symmetric magnetic environments have been suggested to stabilize the magnetic information stored in magnetic adatoms on a surface. Utilized as memory devices such systems are subjected to electron tunneling and external magnetic fields. We analyze theoretically how such perturbations affect the switching probability of a single quantum spin for two characteristic symmetries encountered in recent experiments and suggest a third one that exhibits robust protection against surface induced spin flips. Further we illuminate how the switching of an adatom spin exhibits characteristic behavior with respect to low energy excitations from which the symmetry of the system can be inferred.

cond-mat.mes-hall↗

arXiv2014

Isospin Correlations in two-partite Hexagonal Optical Lattices

Two-component mixtures in optical lattices reveal a rich variety of different phases. We employ an exact diagonalization method to obtain the relevant correlation functions in hexagonal optical lattices to characterize those phases. We relate the occupation difference of the two species to the magnetic polarization. `Iso'-magnetic correlations disclose the nature of the system, which can be of easy-axis type, bearing phase segregation, or of easy-plane type, corresponding to super-counter-fluidity. In the latter case, the correlations reveal easy-plane segregation, involving a highly-entangled state. We identify striking correlated supersolid phases appearing within the superfluid limit.

cond-mat.quant-gas↗

arXiv2014

Unidirectional direct current in coupled nanomechanical resonators by tunable symmetry breaking

We investigate theoretically the non-linear dynamics of a coupled nanomechanical oscillator. Under a weak radio frequency excitation, the resonators can be parametrically tuned into a self-sustained oscillatory regime. The transfer of electrons from one contact to the other is then mechanically assisted, generating a rectified current. The direction of the rectified current is, in most unstable regions, determined by the phase shift between the mechanical oscillations and the signal. However, we locate intriguing parametrical regions of uni-directional rectified current, suggesting a practical scheme for the realization of a self-powered device in the nanoscale. In these regions, a dynamical symmetry breaking is induced by the non-linear coupling of the mechanical and electrical degrees of freedom. When operating within the Coulomb blockade limit, we locate bands of instability of enhanced gain.

cond-mat.mes-hall↗

arXiv2012

Nonequilibrium quantum dynamics of the magnetic Anderson model

We study the non-equilibrium dynamics of a spinful single-orbital quantum dot with an incorporated quantum mechanical spin-1/2 magnetic impurity. Due to the spin degeneracy, double occupancy is allowed, and Coulomb interaction together with the exchange coupling of the magnetic impurity influence the dynamics. By extending the iterative summation of real-time path integrals (ISPI) to this coupled system, we monitor the time-dependent non-equilibrium current and the impurity spin polarization to determine features of the time-dependent non-equilibrium dynamics. We particulary focus on the deep quantum regime, where all time and energy scales are of the same order of magnitude and no small parameter is available. We observe a significant influence of the non-equilibrium decay of the impurity spin polarization both in the presence and in the absence of Coulomb interaction. The exponential relaxation is faster for larger bias voltages, electron-impurity interactions and temperatures. We show that the exact relaxation rate deviates from the corresponding perturbative result. In addition, we study in detail the impurity's back action on the charge current and find a reduction of the stationary current for increasing coupling to the impurity. Moreover, our approach allows us to systematically distinguish mean-field Coulomb and impurity effects from the influence of quantum fluctuations and flip-flop scattering, respectively. In fact, we find a local maximum of the current for a finite Coulomb interaction due to the presence of the impurity.

cond-mat.mes-hall↗

arXiv2010

Elementary excitations in charge-tunable InGaAs quantum dots studied by resonant Raman and resonant photoluminescence spectroscopy

We report on resonant optical spectroscopy of self-assembled InGaAs quantum dots in which the number of electrons can accurately be tuned to N=0,1,2 by an external gate voltage. Polarization, wave vector and magnetic field dependent measurements enable us to clearly distinguish between resonant Raman and resonant photoluminescence processes. The Raman spectra for N=1 and 2 electrons considerably differ from each other. In particular, for N=2, the quantum-dot He, the spectra exhibit both singlet and triplet transitions reflecting the elementary many-particle interaction. Also the resonant photoluminescence spectra are significantly changing by varying the number of electrons in the QDs. For N=1 we observe strong polaronic effects which are suppressed for N=2.

cond-mat.mes-hall↗

arXiv2010

Influence of the particle number on the spin dynamics of ultracold atoms

We study the dependency of the quantum spin dynamics on the particle number in a system of ultracold spin-1 atoms within the single-spatial-mode approximation. We find, for all strengths of the spin-dependent interaction, convergence towards the mean-field dynamics in the thermodynamic limit. The convergence is, however, particularly slow when the spin-changing collisional energy and the quadratic Zeeman energy are equal, i.e. deviations between quantum and mean-field spin dynamics may be extremely large under these conditions. Our estimates show, that quantum corrections to the mean-field dynamics may play a relevant role in experiments with spinor Bose-Einstein condensates. This is especially the case in the regime of few atoms, which may be accessible in optical lattices. Here, spin dynamics is modulated by a beat note at large magnetic fields due to the significant influence of correlated many-body spin states.

cond-mat.quant-gas↗

arXiv2009

Excitation spectrum of Mott shells in optical lattices

We theoretically study the excitation spectrum of confined macroscopic optical lattices in the Mott-insulating limit. For large systems, a fast numerical method is proposed to calculate the ground state filling and excitation energies. We introduce many-particle on-site energies capturing multi-band effects and discuss tunnelling on a perturbative level using an effectively restricted Hilbert space. Results for small one-dimensional lattices obtained by this method are in good agreement with the exact multi-band diagonalization of the Hamiltonian. Spectral properties associated with the formation of regions with constant filling, so-called Mott shells, are investigated and interfaces between the shells with strong particle fluctuations are characterized by gapless local excitations.

cond-mat.quant-gas↗

arXiv2009

Proposal of a robust measurement scheme for the non-adiabatic spin torque using the displacement of magnetic vortices

The strength of the non-adiabatic spin torque is currently under strong debate, as its value differs by orders of magnitude as well in theoretical predictions as in measurements. Here, a measurement scheme is presented that allows to determine the strength of the non-adiabatic spin torque accurately and directly. Analytical and numerical calculations show that the scheme allows to separate the displacement due to the Oersted field and is robust against uncertainties of the exact current direction.

cond-mat.other↗

arXiv2008

Self-Trapping of Bosons and Fermions in Optical Lattices

We theoretically investigate the enhanced localization of bosonic atoms by fermionic atoms in three-dimensional optical lattices and find a self-trapping of the bosons for attractive boson-fermion interaction. Because of this mutual interaction, the fermion orbitals are substantially squeezed, which results in a strong deformation of the effective potential for bosons. This effect is enhanced by an increasing bosonic filling factor leading to a large shift of the transition between the superfluid and the Mott-insulator phase. We find a nonlinear dependency of the critical potential depth on the boson-fermion interaction strength. The results, in general, demonstrate the important role of higher Bloch bands for the physics of attractively interacting quantum gas mixtures in optical lattices and are of direct relevance to recent experiments with 87Rb - 40K mixtures, where a large shift of the critical point has been found.

cond-mat.other↗

arXiv2008

Exact Solution of Strongly Interacting Quasi-One-Dimensional Spinor Bose Gases

We present an exact analytical solution of the fundamental system of quasi-one-dimensional spin-1 bosons with infinite delta-repulsion. The eigenfunctions are constructed from the wave functions of non-interacting spinless fermions, based on Girardeau's Fermi-Bose mapping, and from the wave functions of distinguishable spins. We show that the spinor bosons behave like a compound of non-interacting spinless fermions and non-interacting distinguishable spins. This duality is especially reflected in the spin densities and the energy spectrum. We find that the momentum distribution of the eigenstates depends on the symmetry of the spin function. Furthermore, we discuss the splitting of the ground state multiplet in the regime of large but finite repulsion.

cond-mat.other↗

arXiv2008

Localization and delocalization of ultracold bosonic atoms in finite optical lattices

We study bosonic atoms in small optical lattices by exact diagonalization and observe a striking similarity to the superfluid to Mott insulator transition in macroscopic systems. The momentum distribution, the formation of an energy gap, and the pair correlation function show only a weak size dependence. For noncommensurate filling we reveal in deep lattices a mixture of localized and delocalized particles, which is sensitive to lattice imperfections. Breaking the lattice symmetry causes a Bose-glass-like behavior. We discuss the nature of excited states and orbital effects by using an exact diagonalization technique that includes higher bands.

cond-mat.other↗

arXiv2008

Heteronuclear molecules in an optical lattice: Theory and experiment

We study properties of two different atoms at a single optical lattice site at a heteronuclear atomic Feshbach resonance. We calculate the energy spectrum, the efficiency of rf association and the lifetime as a function of magnetic field and compare the results with the experimental data obtained for K-40 and Rb-87 [C. Ospelkaus et al., Phys. Rev. Lett. 97, 120402 (2006)]. We treat the interaction in terms of a regularized delta function pseudopotential and consider the general case of particles with different trap frequencies, where the usual approach of separating center-of-mass and relative motion fails. We develop an exact diagonalization approach to the coupling between center-of-mass and relative motion and numerically determine the spectrum of the system. At the same time, our approach allows us to treat the anharmonicity of the lattice potential exactly. Within the pseudopotential model, the center of the Feshbach resonance can be precisely determined from the experimental data.

cond-mat.other↗

arXiv2008

Coulomb-Blocked Transport Through a Quantum Dot with Spin-Split Level: Increase of Differential Conductance Peaks by Spin Relaxation

Non-equilibrium transport through a quantum dot with one spin-split single-particle level is studied in the cotunneling regime at low temperatures. The Coulomb diamond can be subdivided into parts differing in at least one of two respects: what kind of tunneling processes (i) determine the single-particle occupations and (ii) mainly contribute to the current. No finite systematic perturbation expansion of the occupations and the current can be found that is valid within the entire Coulomb diamond. We therefore construct a non-systematic solution, which is physically correct and perturbative in the whole cotunneling regime, while smoothly crossing-over between the different regions. With this solution the impact of an intrinsic spin-flip relaxation on the transport is investigated. We focus on peaks in the differential conductance that mark the onset of cotunneling-mediated sequential transport. It is shown that these peaks are maximally pronounced at a relaxation roughly as fast as sequential tunneling. The approach as well as the presented results can be generalized to quantum dots with few levels.

cond-mat.mes-hall↗