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In this work we present theoretical calculations and analysis of the vibronic structure of the spin-triplet optical transition in diamond nitrogen-vacancy centres. The electronic structure of the defect is described using accurate…

介观与纳米尺度物理 · 物理学 2015-03-25 Audrius Alkauskas , Bob B. Buckley , David D. Awschalom , Chris G. Van de Walle

A comprehensive description of the optical cycle of spin defects in solids requires the understanding of the electronic and atomistic structure of states with different spin multiplicity, including singlet states which are particularly…

材料科学 · 物理学 2022-08-10 Yu Jin , Marco Govoni , Giulia Galli

We investigate vibrational properties and lattice distortion of negatively charged nitrogen-vacancy (NV) center in diamond. Using the first-principles electronic structure calculations, we show that the presence of NV center leads to…

材料科学 · 物理学 2015-05-27 Jianhua Zhang , Cai-Zhuang Wang , Z. Z. Zhu , V. V. Dobrovitski

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…

量子物理 · 物理学 2019-09-20 Adam Gali

Formation and excitation energies as well charge transition levels, are determined forthe substitutional nitrogen (Ns),the vacancy (V) and related point defects (NV, NVH, N2, N2V and V2) by screened non-local hybrid density functional…

材料科学 · 物理学 2013-11-27 Peter Deák , Bálint Aradi , Moloud Kaviani , Thomas Frauenheim , Adam Gali

The nitrogen-vacancy (NV) center in diamond is the prototype quantum defect that enables a variety of diamond-based quantum technologies. However, charge-state instability and spectral diffusion, often induced by substitutional nitrogen…

We present a first-principles study of the multimode Jahn-Teller (JT) effect in the exctied $^{3}E$ state of the negatively charged nitrogen-vacancy (NV) center in diamond. Using density functional theory combined with an intrinsic…

材料科学 · 物理学 2026-02-03 Jianhua Zhang , Jun Liu , Z. Z. Zhu , K. M. Ho , V. V. Dobrovitski , C. Z. Wang

Negatively-charged nitrogen-vacancy (NV$^-$) color centers in diamond have generated much interest for use in quantum technology. Despite the progress made in developing their applications, many questions about the basic properties of…

We investigate the impact of quantum vibronic coupling on the electronic properties of solid-state spin defects using stochastic methods and first principles molecular dynamics with a quantum thermostat. Focusing on the negatively charged…

计算物理 · 物理学 2024-01-19 Arpan Kundu , Giulia Galli

First-principles density functional theory methods are used to investigate the structure, energetics, and vibrational motions of the neutral vacancy defect in diamond. The measured optical absorption spectrum demonstrates that the…

介观与纳米尺度物理 · 物理学 2017-01-25 Joseph C. A. Prentice , Bartomeu Monserrat , R. J. Needs

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…

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…

材料科学 · 物理学 2015-05-13 Adam Gali , Erik Janzén , Péter Deák , Georg Kresse , Efthimios Kaxiras

Deep defects in wide band gap semiconductors have emerged as leading qubit candidates for realizing quantum sensing and information applications. Due to the spatial localization of the defect states, these deep defects can be considered as…

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…

其他凝聚态物理 · 物理学 2008-06-24 Adam Gali , Maria Fyta , Efthimios Kaxiras

We created dense ensembles of negatively charged nitrogen-vacancy (NV-) centers in diamond by neutron and electron irradiation for applications in hybrid quantum systems and magnetometry. We characterize fluorescence intensity, optical and…

The negatively charged nitrogen-vacancy centre is a unique defect in diamond that possesses properties highly suited to many applications, including quantum information processing, quantum metrology, and biolabelling. Although the unique…

材料科学 · 物理学 2011-02-24 Marcus W. Doherty , Neil B. Manson , Paul Delaney , Lloyd C. L. Hollenberg

Optically active solid-state spin defects have the potential to become a versatile resource for quantum information processing applications. Nitrogen-vacancy defect centers (NV) in diamond act as quantum memories and can be interfaced by…

We present a density functional theory analysis of the negatively charged nitrogen-vacancy (NV$^-$) defect complex in diamond located in the vicinity of (111)- or (100)-oriented surfaces with mixed (N,H)-terminations. We assess the…

材料科学 · 物理学 2022-02-21 Wolfgang Körner , Reyhaneh Ghassemizadeh , Daniel F. Urban , Christian Elsässer

The electrical conductivity of a material can feature subtle, nontrivial, and spatially-varying signatures with critical insight into the material's underlying physics. Here we demonstrate a conductivity imaging technique based on the…

介观与纳米尺度物理 · 物理学 2018-06-26 Amila Ariyaratne , Dolev Bluvstein , Bryan A. Myers , Ania C. Bleszynski Jayich

We investigate nonlinear optical absorption in diamond crystals containing high densities of nitrogen vacancy (NV) centers using open-aperture Z-scan measurements with 230 fs laser pulses at 1032 nm, within the transparency window of…

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