Atomistic spin dynamics of the CuMn spin glass alloy

We demonstrate the use of Langevin spin dynamics for studying dynamical properties of an archetypical spin glass system. Simulations are performed on CuMn (20% Mn) where we study the relaxation that follows a sudden quench of the system to the low temperature phase. The system is modeled by a Heisenberg Hamiltonian where the Heisenberg interaction parameters are calculated by means of first-principles density functional theory. Simulations are performed by numerically solving the Langevin equations of motion for the atomic spins. It is shown that dynamics is governed, to a large degree, by the damping parameter in the equations of motion and the system size. For large damping and large system sizes we observe the typical aging regime.Comment: 18 pages, 9 figure

Optical spectroscopy and the nature of the insulating state of rare-earth nickelates

Using a combination of spectroscopic ellipsometry and DC transport measurements, we determine the temperature dependence of the optical conductivity of NdNiO$_3$ and SmNiO$_{3}$ films. The optical spectra show the appearance of a characteristic two-peak structure in the near-infrared when the material passes from the metal to the insulator phase. Dynamical mean-field theory calculations confirm this two-peak structure, and allow to identify these spectral changes and the associated changes in the electronic structure. We demonstrate that the insulating phase in these compounds and the associated characteristic two-peak structure are due to the combined effect of bond-disproportionation and Mott physics associated with half of the disproportionated sites. We also provide insights into the structure of excited states above the gap.Comment: 12 pages, 13 figure

Zeros of Rydberg-Rydberg Foster Interactions

Rydberg states of atoms are of great current interest for quantum manipulation of mesoscopic samples of atoms. Long-range Rydberg-Rydberg interactions can inhibit multiple excitations of atoms under the appropriate conditions. These interactions are strongest when resonant collisional processes give rise to long-range C_3/R^3 interactions. We show in this paper that even under resonant conditions C_3 often vanishes so that care is required to realize full dipole blockade in micron-sized atom samples.Comment: 10 pages, 4 figures, submitted to J. Phys.

Synthesis and characterization of entangled mesoscopic superpositions for a trapped electron

We propose a scheme for the generation and reconstruction of entangled states between the internal and external (motional) degrees of freedom of a trapped electron. Such states also exhibit quantum coherence at a mesoscopic level.Comment: 4 pages, 1 figure, RevTeX (twocolumn

Charge self-consistent many-body corrections using optimized projected localized orbitals

In order for methods combining ab initio density-functional theory and many-body techniques to become routinely used, a flexible, fast, and easy-to-use implementation is crucial. We present an implementation of a general charge self-consistent scheme based on projected localized orbitals in the projector augmented wave framework in the Vienna Ab Initio Simulation Package (VASP). We give a detailed description on how the projectors are optimally chosen and how the total energy is calculated. We benchmark our implementation in combination with dynamical mean-field theory: first we study the charge-transfer insulator NiO using a Hartree-Fock approach to solve the many-body Hamiltonian. We address the advantages of the optimized against non-optimized projectors and furthermore find that charge self-consistency decreases the dependence of the spectral function - especially the gap - on the double counting. Second, using continuous-time quantum Monte Carlo we study a monolayer of SrVO$_3$, where strong orbital polarization occurs due to the reduced dimensionality. Using total-energy calculation for structure determination, we find that electronic correlations have a non-negligible influence on the position of the apical oxygens, and therefore on the thickness of the single SrVO$_3$ layer.Comment: 11 pages, 6 figure

Resolvent methods for steady premixed flame shapes governed by the Zhdanov-Trubnikov equation

Using pole decompositions as starting points, the one parameter (-1 =< c < 1) nonlocal and nonlinear Zhdanov-Trubnikov (ZT) equation for the steady shapes of premixed gaseous flames is studied in the large-wrinkle limit. The singular integral equations for pole densities are closely related to those satisfied by the spectral density in the O(n) matrix model, with n = -2(1 + c)/(1 - c). They can be solved via the introduction of complex resolvents and the use of complex analysis. We retrieve results obtained recently for -1 =< c =< 0, and we explain and cure their pathologies when they are continued naively to 0 < c < 1. Moreover, for any -1 =< c < 1, we derive closed-form expressions for the shapes of steady isolated flame crests, and then bicoalesced periodic fronts. These theoretical results fully agree with numerical resolutions. Open problems are evoked.Comment: v2: 29 pages, 6 figures, some typos correcte

Quantum non-demolition measurement of a superconducting two-level system

In quantum mechanics, the process of measurement is a subtle interplay between extraction of information and disturbance of the state of the quantum system. A quantum non-demolition (QND) measurement minimizes this disturbance by using a particular system - detector interaction which preserves the eigenstates of a suitable operator of the quantum system. This leads to an ideal projective measurement. We present experiments in which we perform two consecutive measurements on a quantum two -level system, a superconducting flux qubit, by probing the hysteretic behaviour of a coupled nonlinear resonator. The large correlation between the results of the two measurements demonstrates the QND nature of the readout method. The fact that a QND measurement is possible for superconducting qubits strengthens the notion that these fabricated mesoscopic systems are to be regarded as fundamental quantum objects. Our results are also relevant for quantum information processing, where projective measurements are used for protocols like state preparation and error correction.Comment: 14 pages, 4 figure