Search results for "quantum [effect]"

Comparative theoretical study of the Ag–MgO (100) and (110) interfaces

1999

We have calculated the atomic and electronic structures of Ag–MgO(100) and (110) interfaces using a periodic (slab) model and an ab initio Hartree–Fock approach with a posteriori electron correlation corrections. The electronic structure information includes interatomic bond populations, effective charges, and multipole moments of ions. This information is analyzed in conjunction with the interface binding energy and the equilibrium distances for both interfaces for various coverages. There are significant differences between partly covered surfaces and surfaces with several layers of metal, and these can be understood in terms of electrostatics and the electron density changes. For complet…

Reinforcement learning approach to nonequilibrium quantum thermodynamics

2021

We use a reinforcement learning approach to reduce entropy production in a closed quantum system brought out of equilibrium. Our strategy makes use of an external control Hamiltonian and a policy gradient technique. Our approach bears no dependence on the quantitative tool chosen to characterize the degree of thermodynamic irreversibility induced by the dynamical process being considered, require little knowledge of the dynamics itself and does not need the tracking of the quantum state of the system during the evolution, thus embodying an experimentally non-demanding approach to the control of non-equilibrium quantum thermodynamics. We successfully apply our methods to the case of single- …

Entanglement entropy in a periodically driven quantum Ising chain

2016

We numerically study the dynamics of entanglement entropy, induced by an oscillating time periodic driving of the transverse field, h(t), of a one-dimensional quantum Ising chain. We consider several realizations of h(t), and we find a number of results in analogy with entanglement entropy dynamics induced by a sudden quantum quench. After short-time relaxation, the dynamics of entanglement entropy synchronises with h(t), displaying an oscillatory behaviour at the frequency of the driving. Synchronisation in the dynamics of entanglement entropy, is spoiled by the appearance of quasi-revivals which fade out in the thermodynamic limit, and which we interpret using a quasi-particle picture ada…

Variable time amplitude amplification and quantum algorithms for linear algebra problems

2012

Quantum amplitude amplification is a method of increasing a success probability of an algorithm from a small epsilon>0 to Theta(1) with less repetitions than classically. In this paper, we generalize quantum amplitude amplification to the case when parts of the algorithm that is being amplified stop at different times. We then apply the new variable time amplitude amplification to give two new quantum algorithms for linear algebra problems. Our first algorithm is an improvement of Harrow et al. algorithm for solving systems of linear equations. We improve the running time of the algorithm from O(k^2 log N) to O(k log^3 k log N) where k is the condition number of the system of equations. …

Basics of Post-quantum Calculus

2018

First principles hybrid Hartree-Fock-DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides

2020

Valuable discussions with E. A. Kotomin are gratefully acknowledged. Research contribution of R. E. and A. I. P. has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion applications.” The views and opinions expressed herein do not necessarily reflect those of the European Commission.

Ab initio calculations of CaZrO3, BaZrO3, PbTiO3 and SrTiO3 (001), (011) and (111) surfaces as well as their (001) interfaces

2019

We carried out ab initio calculations for technologically important ABO3 perovskites, like, CaZrO3, BaZrO3, PbTiO3 and SrTiO3, their (001), (011) and (111) surfaces as well as (001) interfaces. For...

Impact of Annealing Temperature on Tunneling Magnetoresistance Multilayer Stacks

2020

The effect of annealing temperatures on the tunnel magnetoresistance (TMR) of MgO-based magnetic tunnel junctions (MTJs) has been investigated for annealing between 190 and 370°C. The TMR shows a maximum value of 215% at an annealing temperature of 330°C. A strong sensitivity of the TMR and the exchange bias of the pinned ferromagnetic layers on the annealing temperature are observed. Depending on sensor application requirements, the MTJ can be optimized either for stability and pinning strength or for a high TMR signal by choosing the appropriate annealing temperature. The switching mechanism of the ferromagnetic layers in the MTJ and the influence of the annealing on the layer properties,…

Photoelectron Emission from Metal Surfaces Induced by VUV-emission of Filament Driven Hydrogen Arc Discharge Plasma

2015

Photoelectron emission measurements have been performed using a filament-driven multi-cusp arc discharge volume production H^- ion source (LIISA). It has been found that photoelectron currents obtained with Al, Cu, Mo, Ta and stainless steel (SAE 304) are on the same order of magnitude. The photoelectron currents depend linearly on the discharge power. It is shown experimentally that photoelectron emission is significant only in the short wavelength range of hydrogen spectrum due to the energy dependence of the quantum efficiency. It is estimated from the measured data that the maximum photoelectron flux from plasma chamber walls is on the order of 1 A per kW of discharge power.

Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment

2019

The interaction of carbon atoms with point defects and the core of edge and screw dislocations with Burgers vector a 0 / 2 ⟨ 111 ⟩ in W and a W-Re matrix is studied by means of ab initio calculations. The structure and energetics of the ground-state atomic configurations are presented and rationalized. It is found that di-vacancies, which are thermally unstable in pure W according to the state-of-the-art ab initio calculations, can nucleate at C and Re-C complexes, which fill the gap in the explanation of the emergence of nanovoids observed experimentally under irradiation. Also, on the basis of the recent experimental evidence and our calculations, the temperature ranges for the manifestat…