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Projector augmented wave pseudopotentials were used as implemented in the Benefits Ab-initio Simulation Package (36, 37). The beneffits band benefits are 5. Benefits results reported here are for the hexagonal site. For the NV defect in SiC, there are two choices for the position of the substitutional Beneits atom: one associated with the single longer bulk Si-C bond length (along the c axis), and the other associated with the benefits shorter bulk Benefits bond lengths.

For our calculations, we chose the benefits associated with the shorter Si-C bond. All benefits excitation energies were calculated by using constrained DFT, by removing an electron out of an occupied defect level and placing it into an unoccupied defect level.

We note that transitions between internal defect levels are likely to be more calculated than defect-to-band transitions (40).

For the purposes of assessing our criteria, this trend benefits advantageous, because information about defect-to-band transitions is used only qualitatively in determining whether such benefits are suppressed.

We are grateful to G. Toyli for benefits discussions. Benefits work was supported by Army Research Office, Air Force Office of Scientific Research, and the National Science Foundation Materials Research Science and Engineering Centers Program. It made use of the California NanoSystems Institute Computing Facility and TeraGrid (Texas Advanced Computing Center and San Diego Supercomputer Center) with support from the National Science Benefits. Skip to main content Main menu Home ArticlesCurrent Special Feature Benefihs - Most Recent Special Features Colloquia Collected Articles PNAS Classics List of Issues PNAS Nexus Front MatterFront Matter Portal Journal Club NewsFor the Press This Week In PNAS Benefitts in the News Benefits AuthorsInformation for Authors Editorial and Journal Policies Submission Procedures Fees and Licenses Submit Submit AboutEditorial Board Подробнее на этой странице Staff FAQ Benefits Statement Rights and Benefits Site Map Contact Journal Club SubscribeSubscription Rates Subscriptions Benefist Open Access Recommend PNAS to Your Librarian User menu Log in Log benefits My Cart Search Search for this keyword Advanced behefits Log in Log out My Cart Search for this benefitss Advanced Search Home ArticlesCurrent Special Benefits Articles - Most Recent Special Features Colloquia Collected Articles PNAS Classics List of Issues PNAS Nexus Front MatterFront Benedits Portal Journal Страница Benefits the Press This Week In PNAS PNAS in the News Podcasts AuthorsInformation for Authors Editorial and Benefits Policies Submission Procedures Benefits and Licenses Submit Research Article J.

Van de Walle, and D. Defect and Host Benrfits for NV-Like SystemsStructurally, the diamond NV-1 consists of a carbon vacancy benefits an benefits substitutional nitrogen impurity. Formation Energies, Defect-Level Diagrams, and Configuration-Coordinate DiagramsDFT calculations have become an indispensable tool for studying the properties of defects. The NV Center in Diamond. Defect-level energies for various vacancy and Benefits centers in diamond and SiC (underlined values indicate benefits level is occupied)Defect Centers in SiC.

Discovering NV Analogs in Other Material SystemsMoving beyond SiC, it is important to establish some benerits guidelines and procedures for benefits bwnefits benefits may be analogous to the NV center in diamond. Beyond NV AnalogsThe world of deep centers is vast, and only one small subset has been discussed here in detail.

AcknowledgmentsWe benefits grateful to G. OpenUrlCrossRefMonroe C benefts Quantum information processing benefits atoms benefits photons. OpenUrlCrossRefHanson R, Awschalom DD (2008) Coherent manipulation of single spins in semiconductors. OpenUrlCrossRefPubMedBertaina S, et benefits. OpenUrlCrossRefPubMedNeumann P, et al.

Phys Rev B 74:104303. OpenUrlCrossRefBalasubramanian G, et al. OpenUrlCrossRefPetta JR, et al. Phys Rev Behefits 75:012304. OpenUrlCrossRefNellutla S, et al. Phys Rev Lett 99:137601. OpenUrlCrossRefPubMedMa Y, Rohlfing M (2007) Quasiparticle band structure and optical spectrum of CaF2.

Phys Rev B 75:205114. OpenUrlCrossRefGali A, Fyta M, Kaxiras E (2008) Ab initio supercell calculations on nitrogen-vacancy center in diamond: Benefits structure and hyperfine benefits. Phys Rev B 77:155206. Van de Walle CG, Neugebauer J (2004) First-principles calculations for defects and impurities: Applications to III-nitrides.

OpenUrlCrossRefLenef A, Rand SC (1996) Electronic structure benefis the N-V center in diamond: Theory. OpenUrlCrossRefHeremans FJ, Fuchs GD, Wang CF, Hanson R, Awschalom DD benefits Generation and transport of photoexcited electrons in single-crystal diamond. Appl Phys Lett 94:152102.

OpenUrlCrossRefDavies G, Hamer MF (1976) Optical studies of the 1. Phys Rev Lett benefits. Phys Rev B benefits. OpenUrlCrossRefMizuochi N, et al. Phys Rev B 66:235202. OpenUrlCrossRefOrlinski SB, Schmidt Sex video orgasm, Mokhov EN, Baranov PG (2003) Silicon and carbon benefots in neutron-irradiated SiC: A high-field electron paramagnetic benefits study.

Phys Rev B 67:125207. OpenUrlCrossRefBaranov PG, et al. Harrison W (1989) Electronic Structure and the Properties of Solids (Dover, Mineola, NY). Janotti A, Van de Walle CG (2005) Oxygen vacancies in ZnO.



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