arXiv subjects

Nils-Oliver Linden

Publications and source records attributed to Nils-Oliver Linden.

3 recordsLinked to original sources

arXiv2020

Imaginary-time matrix product state impurity solver in a real material calculation: Spin-orbit coupling in Sr$_2$RuO$_4$

Using an imaginary-time matrix-product state (MPS) based quantum impurity solver we perform a realistic dynamical mean-field theory (DMFT) calculation combined with density functional theory (DFT) for Sr$_2$RuO$_4$. We take the full Hubbard-Kanamori interactions and spin-orbit coupling (SOC) into account. The MPS impurity solver works at essentially zero temperature in the presence of SOC, a regime of parameters currently inaccessible to continuous-time quantum Monte Carlo (CTQMC) methods, due to a severe sign problem. We show that earlier results obtained at high temperature, namely that the diagonal self-energies are nearly unaffected by SOC and that interactions lead to an effective enhancement of the SOC, hold even at low temperature. We observe that realism makes the numerical solution of the impurity model with MPS much more demanding in comparison to earlier works on Bethe lattice models, requiring several algorithmic improvements.

cond-mat.str-el↗

arXiv2017

Open Wilson chains for quantum impurity models: Keeping track of all bath modes

When constructing a Wilson chain to represent a quantum impurity model, the effects of truncated bath modes are neglected. We show that their influence can be kept track of systematically by constructing an "open Wilson chain" in which each site is coupled to a separate effective bath of its own. As a first application, we use the method to cure the so-called mass-flow problem that can arise when using standard Wilson chains to treat impurity models with asymmetric bath spectral functions at finite temperature. We demonstrate this for the strongly sub-Ohmic spin-boson model at quantum criticality where we directly observe the flow towards a Gaussian critical fixed point.

cond-mat.str-el↗

arXiv2017

Anatomy of quantum critical wave functions in dissipative impurity problems

Quantum phase transitions reflect singular changes taking place in a many-body ground state, however, computing and analyzing large-scale critical wave functions constitutes a formidable challenge. New physical insights into the sub-Ohmic spin-boson model are provided by the coherent state expansion (CSE), which represents the wave function by a linear combination of classically displaced configurations. We find that the distribution of low-energy displacements displays an emergent symmetry in the absence of spontaneous symmetry breaking, while experiencing strong fluctuations of the order parameter near the quantum critical point. Quantum criticality provides two strong fingerprints in critical low-energy modes: an algebraic decay of the average displacement and a constant universal average squeezing amplitude. These observations, confirmed by extensive variational matrix product states (VMPS) simulations and field theory arguments, offer precious clues into the microscopics of critical many-body states in quantum impurity models.

cond-mat.str-el↗