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We present a theoretical study of vibrational and vibronic properties of a point defect in the dilute limit by means of first-principles density functional theory calculations. As an exemplar we choose the negatively charged…

The nitrogen-vacancy (NV) center in diamond is of high importance in quantum information processing applications which relies on the efficient optical polarization of its electron spin. However, the full optical spinpolarization process, in…

Quantum Physics · Physics 2018-09-12 Gergő Thiering , Adam Gali

Elucidation of the mechanism for optical spin initialization of point defects in solids in the context of quantum applications requires an accurate description of the excited electronic states involved. While variational density functional…

Materials Science · Physics 2023-07-14 Aleksei V. Ivanov , Yorick L. A. Schmerwitz , Gianluca Levi , Hannes Jónsson

The negatively charged nitrogen-vacancy center in diamond is a prototype photoluminescent point defect spin qubit with promising quantum technology applications, enabled by its efficient optical spin polarization and readout. Its low-lying…

We investigate spin-dependent decay and intersystem crossing in the optical cycle of single negatively-charged nitrogen-vacancy (NV) centres in diamond. We use spin control and pulsed optical excitation to extract both the spin-resolved…

Quantum Physics · Physics 2011-02-25 Lucio Robledo , Hannes Bernien , Toeno van der Sar , Ronald Hanson

Optically accessible solid state defect spins serve as a primary platform for quantum information processing, where precise control of the electron spin and ancillary nuclear spins is essential for operation. Using the nitrogen-vacancy (NV)…

Quantum Physics · Physics 2026-02-12 Gergő Thiering , Adam Gali

We present a formulation of spin-conserving and spin-flip, hybrid time-dependent density functional theory (TDDFT), including the calculation of analytical forces, which allows for efficient calculations of excited state properties of…

Materials Science · Physics 2023-12-05 Yu Jin , Victor Wen-zhe Yu , Marco Govoni , Andrew C Xu , Giulia Galli

Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical…

Nitrogen-Vacancy (NV) centers in diamond have been used in recent years for a wide range of applications, from nano-scale NMR to quantum computation. These applications depend strongly on the efficient readout of the NV center's spin state,…

Quantum Physics · Physics 2019-10-02 Idan Meirzada , Sigal A. Wolf , Alex Naiman , Uriel Levy , Nir Bar-Gill

The nitrogen-vacancy center in diamond is a promising candidate for realizing the spin qubits concept in quantum information. Even though this defect is known for a long time, its electronic structure and other properties have not yet been…

Other Condensed Matter · Physics 2008-06-24 Adam Gali , Maria Fyta , Efthimios Kaxiras

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…

The negatively charged nitrogen-vacancy defect ($N-V^-$ center) in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a marker in biomedical applications. Its usefulness relies on the…

Materials Science · Physics 2015-05-13 Adam Gali , Erik Janzén , Péter Deák , Georg Kresse , Efthimios Kaxiras

Nitrogen-vacancy center in diamond is a solid state defect qubit with favorable coherence time up to room temperature which could be harnessed in several quantum enhanced sensor and quantum communication applications, and has a potential in…

Quantum Physics · Physics 2019-09-20 Adam Gali

We investigate spin and optical properties of individual nitrogen-vacancy centers located within 1-10 nm from the diamond surface. We observe stable defects with a characteristic optically detected magnetic resonance spectrum down to lowest…

Mesoscale and Nanoscale Physics · Physics 2012-08-27 B. K. Ofori-Okai , S. Pezzagna , K. Chang , M. Loretz , R. Schirhagl , Y. Tao , B. A. Moores , K. Groot-Berning , J. Meijer , C. L. Degen

Frequency standards based on atomic states, such as Rb or Cs vapors, or single trapped ions, are the most precise measures of time. Here we introduce a complementary device based on spins in a solid-state system - the nitrogen-vacancy…

Atomic Physics · Physics 2011-09-16 Jonathan S. Hodges , Dirk Englund

We present a procedure that makes use of group theory to analyze and predict the main properties of the negatively charged nitrogen-vacancy (NV) center in diamond. We focus on the relatively low temperatures limit where both the spin-spin…

Quantum Physics · Physics 2015-05-20 Jeronimo Maze , Adam Gali , Emre Togan , Yiwen Chu , Alexei Trifonov , Efthimios Kaxiras , Mikhail Lukin

Colour centres in diamond have emerged as versatile tools for solid-state quantum technologies ranging from quantum information to metrology, where the nitrogen-vacancy centre is the most studied to-date. Recently, this toolbox has expanded…

The negatively-charged nitrogen vacancy (NV$^{-}$) center in diamond is widely used for quantum sensing since the sensitivity of the spin triplet in the electronic ground state to external perturbations such as strain and electromagnetic…

Quantum Physics · Physics 2024-10-29 Ali Tayefeh Younesi , Muhib Omar , Arne Wickenbrock , Dmitry Budker , Ronald Ulbricht

Solid-state spin defects are a promising platform for quantum networks. A key requirement is to combine long ground-state spin-coherence times with a coherent optical transition for spin-photon entanglement. Here, we investigate the spin…

The controlled and coherent manipulation of individual quantum systems is a fundamental key for the development of quantum information processing. The nitrogen-vacancy (NV) color center in diamond is a promising system since its…

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