Dynamic Response of an Electron Gas: Towards the Exact Exchange-Correlation Kernel.

Precise calculations of dynamics in the homogeneous electron gas (jellium model) are of fundamental importance for design and characterization of new materials. We introduce a diagrammatic Monte Carlo technique based on algorithmic Matsubara integration that allows us to compute frequency and momentum resolved finite temperature response directly in the real frequency domain using a series of connected Feynman diagrams. The data for charge response at moderate electron density are used to extract the frequency dependence of the exchange-correlation kernel at finite momenta and temperature. These results are as important for development of the time-dependent density functional theory for materials dynamics as ground state energies are for the density functional theory.

Fermi blockade of the strong electron-phonon interaction in modelled optimally doped high temperature superconductors.

We study how manifestations of strong electron-phonon interaction depend on the carrier concentration by solving the two-dimensional Holstein model for the spin-polarized fermions using an approximation free bold-line diagrammatic Monte Carlo method. We show that the strong electron-phonon interaction, obviously present at very small Fermion concentration, is masked by the Fermi blockade effects and Migdal's theorem to the extent that it manifests itself as moderate one at large carriers densities. Suppression of strong electron-phonon interaction fingerprints is in agreement with experimental observations in doped high temperature superconductors.

Stability of Dirac Liquids with Strong Coulomb Interaction.

We develop and apply the diagrammatic Monte Carlo technique to address the problem of the stability of the Dirac liquid state (in a graphene-type system) against the strong long-range part of the Coulomb interaction. So far, all attempts to deal with this problem in the field-theoretical framework were limited either to perturbative or random phase approximation and functional renormalization group treatments, with diametrically opposite conclusions. Our calculations aim at the approximation-free solution with controlled accuracy by computing vertex corrections from higher-order skeleton diagrams and establishing the renormalization group flow of the effective Coulomb coupling constant. We unambiguously show that with increasing the system size L (up to ln(L)∼40), the coupling constant always flows towards zero; i.e., the two-dimensional Dirac liquid is an asymptotically free T=0 state with divergent Fermi velocity.

Potential for spin-based information processing in a thin-film molecular semiconductor.

Organic semiconductors are studied intensively for applications in electronics and optics, and even spin-based information technology, or spintronics. Fundamental quantities in spintronics are the population relaxation time (T1) and the phase memory time (T2): T1 measures the lifetime of a classical bit, in this case embodied by a spin oriented either parallel or antiparallel to an external magnetic field, and T2 measures the corresponding lifetime of a quantum bit, encoded in the phase of the quantum state. Here we establish that these times are surprisingly long for a common, low-cost and chemically modifiable organic semiconductor, the blue pigment copper phthalocyanine, in easily processed thin-film form of the type used for device fabrication. At 5 K, a temperature reachable using inexpensive closed-cycle refrigerators, T1 and T2 are respectively 59 ms and 2.6 µs, and at 80 K, which is just above the boiling point of liquid nitrogen, they are respectively 10 µs and 1 µs, demonstrating that the performance of thin-film copper phthalocyanine is superior to that of single-molecule magnets over the same temperature range. T2 is more than two orders of magnitude greater than the duration of the spin manipulation pulses, which suggests that copper phthalocyanine holds promise for quantum information processing, and the long T1 indicates possibilities for medium-term storage of classical bits in all-organic devices on plastic substrates.

Pairwise decoherence in coupled spin qubit networks.

Experiments involving phase coherent dynamics of networks of spins, such as echo experiments, will only work if decoherence can be suppressed. We show here, by analyzing the particular example of a crystalline network of Fe8 molecules, that most decoherence typically comes from pairwise interactions (particularly dipolar interactions) between the spins, which cause "correlated errors." However, at very low T these are strongly suppressed. These results have important implications for the design of quantum information processing systems using electronic spins.