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Register a new userQuantum and Classical Calculations of Ground State Properties of Parabolic Quantum Dots
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Added by
Morten Hjorth-Jensen
Publication date
2005
fields
Physics
and research's language is
English
Authors
V. Popsueva
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We report calculations for electronic ground states of parabolically confined quantum dots for up to 30 electrons based on the quantum Monte Carlo method. Effects of the electron-electron interaction and the response to a magnetic field are exposed. The wavefunctions and the ground state energies are compared with purely classical calculations performed with a comprehensive Molecular Dynamics code. For the chosen well parameters a close correspondence in the overall shape of electron density distribution is found even for small number of electrons, while the detailed radial distributions show the effects of Pauli principle in the quantal case.
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The author reports on new high-fidelity simulations of charge carriers in the high-T$_c$ cuprate materials using quantum Monte Carlo techniques applied to the first principles Hamiltonian. With this high accuracy technique, the doped ground state is found to be a spin polaron, in which charge is localized through a strong interaction with the spin. This spin polaron has calculated properties largely similar to the phenomenology of the cuprates, and may be the object which forms the Fermi surface and charge inhomogeneity in these materials. The spin polaron has some unique features that should be visible in X-ray, EELS, and neutron experiments. The results contained in this paper comprise an accurate first principles derived paradigm from which to study superconductivity in the cuprates.
We study a frustrated spin-$S$ staggered-dimer Heisenberg model on square lattice by using the bond-operator representation for quantum spins, and investigate the emergence of classical magnetic order from the quantum mechanical (staggered-dimer singlet) ground state for increasing $S$. Using triplon analysis, we find the critical couplings for this quantum phase transition to scale as $1/S(S+1)$. We extend the triplon analysis to include the effect of quintet dimer-states, which proves to be essential for establishing the classical order (Neel or collinear in the present study) for large $S$, both in the purely Heisenberg case and also in the model with single-ion anisotropy.
We consider an impurity with a spin degree of freedom coupled to a finite reservoir of non-interacting electrons, a system which may be realized by either a true impurity in a metallic nano-particle or a small quantum dot coupled to a large one. We show how the physics of such a spin impurity is revealed in the many-body spectrum of the entire finite-size system; in particular, the evolution of the spectrum with the strength of the impurity-reservoir coupling reflects the fundamental many-body correlations present. Explicit calculation in the strong and weak coupling limits shows that the spectrum and its evolution are sensitive to the nature of the impurity and the parity of electrons in the reservoir. The effect of the finite size spectrum on two experimental observables is considered. First, we propose an experimental setup in which the spectrum may be conveniently measured using tunneling spectroscopy. A rate equation calculation of the differential conductance suggests how the many-body spectral features may be observed. Second, the finite-temperature magnetic susceptibility is presented, both the impurity susceptibility and the local susceptibility. Extensive quantum Monte-Carlo calculations show that the local susceptibility deviates from its bulk scaling form. Nevertheless, for special assumptions about the reservoir -- the clean Kondo box model -- we demonstrate that finite-size scaling is recovered. Explicit numerical evaluations of these scaling functions are given, both for even and odd parity and for the canonical and grand-canonical ensembles.
We introduce an integrability-based method enabling the study of semiconductor quantum dot models incorporating both the full hyperfine interaction as well as a mean-field treatment of dipole-dipole interactions in the nuclear spin bath. By performing free induction decay and spin echo simulations we characterize the combined effect of both types of interactions on the decoherence of the electron spin, for external fields ranging from low to high values. We show that for spin echo simulations the hyperfine interaction is the dominant source of decoherence at short times for low fields, and competes with the dipole-dipole interactions at longer times. On the contrary, at high fields the main source of decay is due to the dipole-dipole interactions. In the latter regime an asymmetry in the echo is observed. Furthermore, the non-decaying fraction previously observed for zero field free induction decay simulations in quantum dots with only hyperfine interactions, is destroyed for longer times by the mean-field treatment of the dipolar interactions.
Recent experiments have measured the signatures of the Kondo effect in the zero-field thermopower of strongly correlated quantum dots [Svilans {em et al.,} Phys. Rev. Lett. {bf 121}, 206801 (2018); Dutta {em et al.,} Nano Lett. {bf 19}, 506 (2019)]. They confirm the predicted Kondo-induced sign change in the thermopower, upon increasing the temperature through a gate-voltage dependent value $T_{1}gtrsim T_{rm K}$, where $T_{rm K}$ is the Kondo temperature. Here, we use the numerical renormalization group (NRG) method to investigate the effect of a finite magnetic field $B$ on the thermopower of such quantum dots. We show that, for fields $B$ exceeding a gate-voltage dependent value $B_{0}$, an additional sign change takes place in the Kondo regime at a temperature $T_{0}(Bgeq B_{0})>0$ with $T_0<T_1$. The field $B_{0}$ is comparable to, but larger than, the field $B_{c}$ at which the zero-temperature spectral function splits in a magnetic field. The validity of the NRG results for $B_{0}$ are checked by comparison with asymptotically exact higher-order Fermi-liquid calculations [Oguri {em et al.,} Phys. Rev. B {bf 97}, 035435 (2018)]. Our calculations clarify the field-dependent signatures of the Kondo effect in the thermopower of Kondo-correlated quantum dots and explain the recently measured trends in the $B$-field dependence of the thermoelectric response of such systems [Svilans {em et al.,} Phys. Rev. Lett. {bf 121}, 206801 (2018)].
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