arXiv subjects

P. Neumann

Publications and source records attributed to P. Neumann.

15 recordsLinked to original sources

arXiv2019

Semantic interoperability and characterization of data provenance in computational molecular engineering

By introducing a common representational system for metadata that describe the employed simulation workflows, diverse sources of data and platforms in computational molecular engineering, such as workflow management systems, can become interoperable at the semantic level. To achieve semantic interoperability, the present work introduces two ontologies that provide a formal specification of the entities occurring in a simulation workflow and the relations between them: The software ontology VISO is developed to represent software packages and their features, and OSMO, an ontology for simulation, modelling, and optimization, is introduced on the basis of MODA, a previously developed semi-intuitive graph notation for workflows in materials modelling. As a proof of concept, OSMO is employed to describe a use case of the TaLPas workflow management system, a scheduler and workflow optimizer for particle-based simulations.

cs.DC↗

arXiv2018

Microwave-assisted cross-polarization of nuclear spin ensembles from optically-pumped nitrogen-vacancy centers in diamond

The ability to optically initialize the electronic spin of the nitrogen-vacancy (NV) center in diamond has long been considered a valuable resource to enhance the polarization of neighboring nuclei, but efficient polarization transfer to spin species outside the diamond crystal has proven challenging. Here we demonstrate variable-magnetic-field, microwave-enabled cross-polarization from the NV electronic spin to protons in a model viscous fluid in contact with the diamond surface. Slight changes in the cross-relaxation rate as a function of the wait time between successive repetitions of the transfer protocol suggest slower molecular diffusion near the diamond surface compared to that in bulk, an observation consistent with present models of the microscopic structure of a fluid close to a solid interface.

cond-mat.mes-hall↗

arXiv2013

Quantum error correction in a solid-state hybrid spin register

Hybrid quantum systems seek to combine the strength of its constituents to master the fundamental conflicting requirements of quantum technology: fast and accurate systems control together with perfect shielding from the environment, including the measurements apparatus, to achieve long quantum coherence. Excellent examples for hybrid quantum systems are heterogeneous spin systems where electron spins are used for readout and control while nuclear spins are used as long-lived quantum bits. Here we show that joint initialization, projective readout and fast local and non-local gate operations are no longer conflicting requirements in those systems, even under ambient conditions. We demonstrate high-fidelity initialization of a whole spin register (99 %) and single-shot readout of multiple individual nuclear spins by using the ancillary electron spin of a nitrogen-vacancy defect in diamond. Implementation of a novel non-local gate generic to our hybrid electron-nuclear quantum register allows to prepare entangled states of three nuclear spins, with fidelities exceeding 85 %. An important tool for scalable quantum computation is quantum error correction. Combining, for the first time, optimal-control based error avoidance with error correction, we realize a three-qubit phase-flip error correction algorithm. Utilizing optimal control, all of the above algorithms achieve fidelities approaching fault tolerant quantum operation, thus paving the way to large scale integrations. Our techniques can be used to improve scaling of quantum networks relying on diamond spins, phosphorous in silicon or other spin systems like quantum dots, silicon carbide or rare earth ions in solids.

quant-ph↗

arXiv2012

Photo induced ionization dynamics of the nitrogen vacancy defect in diamond investigated by single shot charge state detection

The nitrogen-vacancy centre (NV) has drawn much attention for over a decade, yet detailed knowledge of the photophysics needs to be established. Under typical conditions, the NV can have two stable charge states, negative (NV-) or neutral (NV0), with photo induced interconversion of these two states. Here, we present detailed studies of the ionization dynamics of single NV centres in bulk diamond at room temperature during illumination in dependence of the excitation wavelength and power. We apply a recent method which allows us to directly measure the charge state of a single NV centre, and observe its temporal evolution. Results of this work are the steady state NV- population, which was found to be always < 75% for 450 to 610 nm excitation wavelength, the relative absorption cross-section of NV- for 540 to 610 nm, and the energy of the NV- ground state of 2.6 eV below the conduction band. These results will help to further understand the photo-physics of the NV centre.

quant-ph↗

arXiv2011

Violation of a temporal Bell inequality for single spins in solid by over 50 standard deviations

Quantum non-locality has been experimentally investigated by testing different forms of Bell's inequality, yet a loophole-free realization has not been achieved up to now. Much less explored are temporal Bell inequalities, which are not subject to the locality assumption, but impose a constrain on the system's time-correlations. In this paper, we report on the experimental violation of a temporal Bell's inequality using a nitrogen vacancy defect (NV) in diamond and provide a novel quantitative test of quantum coherence. We therefore present a new technique to initialize the electronic state of the NV with high fidelity, a necessary requirement for reliable quantum information processing and/or the implementation of protocols for quantum metrology.

quant-ph↗

arXiv2010

Dark states of single NV centers in diamond unraveled by single shot NMR

The nitrogen-vacancy (NV) center in diamond is supposed to be a building block for quantum computing and nanometer scale metrology at ambient conditions. Therefore, precise knowledge of its quantum states is crucial. Here, we experimentally show that under usual operating conditions the NV exists in an equilibrium of two charge states (70% in the expected negative (NV-) and 30% in the neutral one (NV0)). Projective quantum non-demolition measurement of the nitrogen nuclear spin enables the detection even of the additional, optically inactive state. The nuclear spin can be coherently driven also in NV0 (T1 ~ 90 ms and T2 ~ 6 micro-s).

quant-ph↗

arXiv2010

Scalable quantum register based on coupled electron spins in a room temperature solid

Realization of devices based on quantum laws might lead to building processors that outperform their classical analogues and establishing unconditionally secure communication protocols. Solids do usually present a serious challenge to quantum coherence. However, owing to their spin-free lattice and low spin orbit coupling, carbon materials and particularly diamond are suitable for hosting robust solid state quantum registers. We show that scalable quantum logic elements can be realized by exploring long range magnetic dipolar coupling between individually addressable single electron spins associated with separate color centers in diamond. Strong distance dependence of coupling was used to characterize the separation of single qubits 98 A with unprecedented accuracy (3 A) close to a crystal lattice spacing. Our demonstration of coherent control over both electron spins, conditional dynamics, selective readout as well as switchable interaction, opens the way towards a room temperature solid state scalable quantum register. Since both electron spins are optically addressable, this solid state quantum device operating at ambient conditions provides a degree of control that is currently available only for atomic systems.

quant-ph↗

arXiv2009

Universal enhancement of the optical readout fidelity of single electron spins

Precise readout of spin states is crucial for any approach towards physical realization of a spin-based quantum computer and for magnetometry with single spins. Here, we report a new method to strongly improve the optical readout fidelity of electron spin states associated with single nitrogen-vacancy (NV) centers in diamond. The signal-to-noise ratio is enhanced significantly by performing conditional flip-flop processes between the electron spin and the nuclear spin of the NV center's nitrogen atom. The enhanced readout procedure is triggered by a short preparatory pulse sequence. As the nitrogen nuclear spin is intrinsically present in the system, this method is universally applicable to any nitrogen-vacancy center.

quant-ph↗

arXiv2009

Coherence of single spins coupled to a nuclear spin bath of varying density

The dynamics of single electron and nuclear spins in a diamond lattice with different 13C nuclear spin concentration is investigated. It is shown that coherent control of up to three individual nuclei in a dense nuclear spin cluster is feasible. The free induction decays of nuclear spin Bell states and single nuclear coherences among 13C nuclear spins are compared and analyzed. Reduction of a free induction decay time T2* and a coherence time T2 upon increase of nuclear spin concentration has been found. For diamond material with depleted concentration of nuclear spin, T2* as long as 30 microseconds and T2 of up to 1.8 ms for the electron spin has been observed. The 13C concentration dependence of T2* is explained by Fermi contact and dipolar interactions with nuclei in the lattice. It has been found that T2 decreases approximately as 1/n, where n is 13C concentration, as expected for an electron spin interacting with a nuclear spin bath.

quant-ph↗

arXiv2009

Low temperature studies of the excited-state structure of Nitrogen-Vacancy color centers in diamond

We report a study of the 3E excited-state structure of single nitrogen-vacancy (NV) defects in diamond, combining resonant excitation at cryogenic temperatures and optically detected magnetic resonance. A theoretical model of the excited-state structure is developed and shows excellent agreement with experimental observations. Besides, we show that the two orbital branches associated with the 3E excited-state are averaged when operating at room temperature. This study leads to an improved physical understanding of the NV defect electronic structure, which is invaluable for the development of diamond-based quantum information processing.

quant-ph↗

arXiv2009

Excited-state spectroscopy of single NV defects in diamond using optically detected magnetic resonance

Using pulsed optically detected magnetic resonance techniques, we directly probe electron-spin resonance transitions in the excited-state of single Nitrogen-Vacancy color centers in diamond. Unambiguous assignment of excited state fine structure is made, based on changes of NV defect photoluminescence lifetime. This study provides significant insight into the structure of the emitting 3E excited state, which is invaluable for the development of diamond-based quantum information processing.

quant-ph↗

arXiv2009

Dynamic polarization of single nuclear spins by optical pumping of NV color centers in diamond at room temperature

We report a versatile method to efficiently polarize single nuclear spins in diamond, which is based on optical pumping of a single NV color center and mediated by a level-anti crossing in its excited state. A nuclear spin polarization higher than 98% is achieved at room temperature for the 15N nuclear spin associated to the NV center, corresponding to $μ$K effective nuclear spin temperature. We then show simultaneous deterministic initialization of two nuclear spins (13C and 15N) in close vicinity to a NV defect. Such robust control of nuclear spin states is a key ingredient for further scaling up of nuclear-spin based quantum registers in diamond.

quant-ph↗

arXiv2007

Coherence properties of photons emitted by single defect centers in diamond

Photon interference among distant quantum emitters is a promising method to generate large scale quantum networks. Interference is best achieved when photons show long coherence times. For the nitrogen-vacancy defect center in diamond we measure the coherence times of photons via optically induced Rabi oscillations. Experiments reveal a close to Fourier transform (i.e. lifetime) limited width of photons emitted even when averaged over minutes. The projected contrast of two-photon interference (0.8) is high enough to envisage the applications in quantum information processing. We report 12 and 7.8 ns excited state lifetime depending on the spin state of the defect.

quant-ph↗

arXiv2006

The excited state structure of the nitrogen-vacancy center in diamond

Optical and microwave double resonance techniques are used to obtain the excited state structure of single nitrogen-vacancy centers in diamond. The excited state is an orbital doublet and it is shown that it can be split and associated transition strengths varied by external electric fields and by strain. A group theoretical model is developed. It gives a good account of the observations and contributes to an improved understanding of the electronic structure of the center. The findings are important for quantum information processing and other applications of the center.

cond-mat.mtrl-sci↗

arXiv2006

Room temperature coherent control of coupled single spins in solid

Coherent coupling between single quantum objects is at the heart of modern quantum physics. When coupling is strong enough to prevail over decoherence, it can be used for the engineering of correlated quantum states. Especially for solid-state systems, control of quantum correlations has attracted widespread attention because of applications in quantum computing. Such coherent coupling has been demonstrated in a variety of systems at low temperature1, 2. Of all quantum systems, spins are potentially the most important, because they offer very long phase memories, sometimes even at room temperature. Although precise control of spins is well established in conventional magnetic resonance3, 4, existing techniques usually do not allow the readout of single spins because of limited sensitivity. In this paper, we explore dipolar magnetic coupling between two single defects in diamond (nitrogen-vacancy and nitrogen) using optical readout of the single nitrogen-vacancy spin states. Long phase memory combined with a defect separation of a few lattice spacings allow us to explore the strong magnetic coupling regime. As the two-defect system was well-isolated from other defects, the long phase memory times of the single spins was not diminished, despite the fact that dipolar interactions are usually seen as undesirable sources of decoherence. A coherent superposition of spin pair quantum states was achieved. The dipolar coupling was used to transfer spin polarisation from a nitrogen-vacancy centre spin to a nitrogen spin, with optical pumping of a nitrogen-vacancy centre leading to efficient initialisation. At the level anticrossing efficient nuclear spin polarisation was achieved. Our results demonstrate an important step towards controlled spin coupling and multi-particle entanglement in the solid state.

quant-ph↗