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arXiv:1509.09163 · Bulletin of the American Physical Society

Quantum critical dynamics of a magnetic impurity in a semiconducting host

Nagamalleswararao Dasari, Swagata Acharya, A. Taraphder, Juana Moreno, Mark Jarrell, N. S. Vidhyadhiraja

Published Sep 30, 2015• 4 citations
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Abstract

We have investigated the finite temperature dynamics of the singlet to doublet continuous quantum phase transition in the gapped Anderson impurity model using hybridization expansion continuous time quantum Monte-Carlo. Using the self-energy and the longitudinal static susceptibility, we obtain a phase diagram in the temperature-gap plane. The separatrix between the low temperature local moment phase and the high temperature generalized Fermi liquid phase of this phase diagram is shown to be the lower bound of the critical scaling region of the zero gap quantum critical point of interacting type. We have computed the nuclear magnetic spin-lattice relaxation rate, the Knight shift and the Korringa ratio, which show strong deviations for any non-zero gap from the corresponding quantities in the gapless Kondo screened impurity case.

DOI
10.48550/arxiv.1509.09163

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We have investigated the finite temperature dynamics of the singlet to doublet continuous quantum phase transition in the gapped Anderson impurity model using hybridization expansion continuous time quantum Monte-Carlo. Using the self-energy and the longitudinal static susceptibility, we obtain a phase diagram in the temperature-gap plane. The separatrix between the low temperature local moment phase and the high temperature generalized Fermi liquid phase of this phase diagram is shown to be the lower bound of the critical scaling region of the zero gap quantum critical point of interacting type. We have computed the nuclear magnetic spin-lattice relaxation rate, the Knight shift and the Korringa ratio, which show strong deviations for any non-zero gap from the corresponding quantities in the gapless Kondo screened impurity case.
The energy-dependent scattering of fermions from a localized orbital at an energy-dependent rate $\ensuremath{\Gamma}(\ensuremath{\varepsilon})\ensuremath{\propto}{|\ensuremath{\varepsilon}|}^{r}$ gives rise to quantum critical points (QCPs) in the pseudogap single-impurity Anderson model separating a local moment phase with an unscreened spin moment from a strong-coupling phase which slightly deviates from the screened phase of standard Kondo problem. Using the time-dependent numerical renormalization group (TD-NRG) approach we show that local dynamic properties always equilibrate towards a steady-state value even for quenches across the QCP but with systematic deviations from the thermal equilibrium depending on the distance to the critical coupling. Local nonequilibrium properties are presented for interaction quenches and hybridization quenches. We augment our numerical data by an analytical calculation that becomes exact at short times and find excellent agreement between the numerics and the analytical theory. For interaction quenches within the screened phase we find a universal function for the time-dependent local double occupancy. We trace back the discrepancy between our results and the data obtained by a time-dependent Gutzwiller variational approach to restrictions of the wave-function ansatz in the Gutzwiller theory: while the NRG ground states properly account for the formation of an extended spin moment which decouples from the system in the unscreened phase, the Gutzwiller ansatz only allows the formation of the spin moment on the local impurity orbital.
We study the competition between Kondo physics and dissipation within an Anderson model of a magnetic impurity level that hybridizes with a metallic host and is also coupled, via the impurity charge, to the displacement of a bosonic bath having a spectral density proportional to ${\ensuremath{\omega}}^{s}$. As the impurity-bath coupling increases from zero, the effective Coulomb interaction between two electrons in the impurity level is progressively renormalized from its repulsive bare value until it eventually becomes attractive. For weak hybridization, this renormalization in turn produces a crossover from a conventional spin-sector Kondo effect to a charge Kondo effect. At particle-hole symmetry, and for sub-Ohmic bath exponents 0<s<10<s<10<s<1, further increase in the impurity-bath coupling results in a continuous zero-temperature transition to a broken-symmetry phase in which the ground-state impurity occupancy ${\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{n}}_{d}$ acquires an expectation value ${⟨{\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{n}}_{d}⟩}_{0}\ensuremath{\ne}1$. The response of the impurity occupancy to a locally applied electric potential features the hyperscaling of critical exponents and $\ensuremath{\omega}∕T$ scaling that are expected at an interacting critical point. The numerical values of the critical exponents suggest that the transition lies in the same universality class as that of the sub-Ohmic spin-boson model. For the Ohmic case s=1s=1s=1, the transition is instead of Kosterlitz-Thouless type. Away from particle-hole symmetry, the quantum phase transition is replaced by a smooth crossover but signatures of the symmetric quantum critical point remain in the physical properties at elevated temperatures and/or frequencies.
Local quantum criticality in itinerant fermion systems has been extensively investigated through the soft-gap Anderson impurity model, wherein a localized, correlated impurity hybridizes with a broad conduction band with a singular, ${|\ensuremath{\omega}|}^{r}$, density of states. However, lattice models hosting quantum critical points (QCPs) do not appear to have such a spectrum emerging at the QCP. In this work, we report the emergence of such a singular form of the density of states in a three-orbital lattice model, within dynamical mean field theory, precisely at a quantum critical point, separating a gapless, Fermi liquid (FL) metallic phase from a gapped, Mott insulating phase. A temperature-dependent exponent, $\ensuremath{\alpha}$, defined using the corresponding Matsubara self-energy, is found to vary from +1+1+1 deep in the FL regime, to $\ensuremath{-}1$ in the Mott insulator regime. Interestingly, we find that $\ensuremath{\alpha}$ becomes temperature-independent, and hence isosbestic, precisely at the QCP. The isosbestic exponent is shown to lead to an emergent soft-gap spectrum, ${|\ensuremath{\omega}|}^{r}$, at the QCP, where $r=|{\ensuremath{\alpha}}_{\mathrm{iso}}|$. We discuss the implications of our findings for non-Fermi-liquid behavior in the quantum critical region of the phase diagram.
We study a pseudogap Anderson-Holstein model of a magnetic impurity level that hybridizes with a conduction band whose density of states vanishes in power-law fashion at the Fermi energy, and couples, via its charge, to a nondispersive bosonic mode (e.g., an optical phonon). The model, which we treat using poor-man's scaling and the numerical renormalization group, exhibits quantum phase transitions of different types depending on the strength of the impurity-boson coupling. For weak impurity-boson coupling, the suppression of the density of states near the Fermi energy leads to quantum phase transitions between strong-coupling (Kondo) and local-moment phases. For sufficiently strong impurity-boson coupling, however, the bare repulsion between a pair of electrons in the impurity level becomes an effective attraction, leading to quantum phase transitions between strong-coupling (charge Kondo) and local-charge phases. Even though the Hamiltonian exhibits different symmetries in the spin and charge sectors, the thermodynamic properties near the two types of quantum phase transition are closely related under spin-charge interchange. Moreover, the critical responses to a local magnetic field (for small impurity-boson coupling) and to an electric potential (for large impurity-boson coupling) are characterized by the same exponents, whose values place these quantum-critical points in the universality class of the pseudogap Anderson model. One specific case of the pseudogap Anderson-Holstein model may be realized in a double-quantum-dot device, where the quantum phase transitions manifest themselves in the finite-temperature linear electrical conductance.
A local moment approach is developed for single-particle excitations of a symmetric Anderson impurity model (AIM) with a soft-gap hybridization vanishing at the Fermi level: I | | r , with r >0. Local moments are introduced explicitly from the outset, and a two-self-energy description is employed in which single-particle excitations are coupled dynamically to low-energy transverse spin fluctuations. The resultant theory is applicable on all energy scales, and captures both the spin-fluctuation regime of strong coupling (large U ), as well as the weak-coupling regime where it is perturbatively exact for those r -domains in which perturbation theory in U is non-singular. While the primary emphasis is on single-particle dynamics, the quantum phase transition between strong-coupling (SC) and local moment (LM) phases can also be addressed directly; for the spin-fluctuation regime in particular a number of asymptotically exact results are thereby obtained, notably for the behaviour of the critical U c ( r ) separating SC/LM states and the Kondo scale m ( r ) characteristic of the SC phase. Results for both single-particle spectra and SC/LM phase boundaries are found to agree well with recent numerical renormalization group (NRG) studies; and a number of further testable predictions are made. Single-particle spectra are examined systematically for both SC and LM states; in particular, for all 0 r <½, spectra characteristic of the SC state are predicted to exhibit an r -dependent universal scaling form as the SC/LM phase boundary is approached and the Kondo scale vanishes. Results for the `normal' r = 0 AIM are moreover recovered smoothly from the limit r 0, where the resultant description of single-particle dynamics includes recovery of Doniach-Sunjic tails in the wings of the Kondo resonance, as well as characteristic low-energy Fermi liquid behaviour and the exponential diminution with U of the Kondo scale itself. The normal AIM is found to represent a particular case of more generic behaviour characteristic of the r >0 SC phase which, in agreement with conclusions drawn from recent NRG work, may be viewed as a non-trivial but natural generalization of Fermi liquid physics.
Quantum impurity models are the prototypical examples of quantum many-body dynamics which manifests in their spectral and transport properties. Single channel Anderson(and Kondo model) leads to the Fermi liquid ground state in the strong coupling regime which corresponds to a stable infrared fixed point at which the quantum impurity gets completely screened by the conduction electrons. Quantum impurity models with non-trivial density of states exhibit quantum phase transition and this quantum criticality lies in the universality class of local quantum critical systems. In this paper, we report first study of the flow equation renormalization of gapped Kondo model which has gapped density of states, the gap being at the Fermi level. Flow equation renormalization group method has proved to be one of the very robust renormalization methods to study Kondo physics both in equilibrium as well as in non-equilibrium. Here we have shown that this method can also be employed to study local quantum criticality. We have calculated the flow equations for the Kondo coupling and solved them for various values of the gap parameter and we find that there is suppression of Kondo divergence as gap is increased which signifies that as gap is increased, renormalization flow goes away from the strong coupling fixed point. We have also calculated the spin susceptibility and we find that as gap is increased, susceptibility goes over to the Curie behaviour and hence confirming the renormalization flow towards the local moment fixed point.