pith. sign in

arxiv: 1906.08354 · v1 · pith:53775452new · submitted 2019-06-19 · ❄️ cond-mat.mtrl-sci · cond-mat.mes-hall

Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation

Zaili Peng , Timur Biktagirov , Franklin H. Cho , Uwe Gerstmann , Susumu Takahashi This is my paper

Pith reviewed 2026-05-25 19:53 UTC · model grok-4.3

classification ❄️ cond-mat.mtrl-sci cond-mat.mes-hall
keywords nanodiamondshigh-frequency EPRDFT calculationssurface defectsvacancyNV centersquantum sensingparamagnetic impurities
0
0 comments X

The pith

High-frequency EPR identifies the near-surface defect in nanodiamonds as the negatively charged vacancy V- with g-value 2.0028(3).

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The authors use high-frequency electron paramagnetic resonance to measure the g-value of paramagnetic impurities near the surface of nanodiamonds. They combine this with double resonance nuclear magnetic resonance and density functional theory calculations to identify the defect as the negatively charged vacancy. This identification matters for quantum sensing applications because nanodiamonds hosting nitrogen-vacancy centers suffer from reduced sensitivity due to these surface impurities. Pinpointing the defect type opens a route to mitigate its effects and improve device performance.

Core claim

The near-surface paramagnetic impurity within the shell of NDs is probed using high-frequency EPR spectroscopy, yielding a g-value of 2.0028(3). HF-ELDOR-detected NMR spectroscopy together with first-principles calculations indicate that a possible structure for this impurity is the negatively charged vacancy V-.

What carries the argument

High-frequency EPR spectroscopy that determines the defect g-value, paired with DFT calculations modeling the electronic structure and hyperfine parameters of V- to achieve a match.

If this is right

  • The identification supplies a concrete target for surface treatments that could reduce impurity effects on NV centers.
  • NV-based sensing techniques gain a clearer path toward higher sensitivity once the dominant surface defect is known.
  • Quality assessment of nanodiamond samples can now incorporate this specific g-value signature as a diagnostic.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • The same high-frequency EPR approach could be tested on other surface-functionalized nanoparticles to map their defect populations.
  • If V- proves dominant, targeted chemical passivation aimed at vacancies rather than generic surface cleaning becomes a testable next step.
  • Routine g-value screening at high frequency might serve as a production metric for nanodiamonds intended for quantum devices.

Load-bearing premise

The observed EPR signal arises from a single dominant defect species whose g-value and hyperfine parameters can be uniquely matched to the V- model without significant contributions from other surface states.

What would settle it

An experiment that resolves multiple distinct EPR signals with different g-values or shows that the measured hyperfine parameters deviate from the DFT prediction for V-.

Figures

Figures reproduced from arXiv: 1906.08354 by Franklin H. Cho, Susumu Takahashi, Timur Biktagirov, Uwe Gerstmann, Zaili Peng.

Figure 1
Figure 1. Figure 1: FIG. 1. 230 GHz cw EPR spectra of the diamond samples. (a) (Left [PITH_FULL_IMAGE:figures/full_fig_p006_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: FIG. 2. Size dependence of EPR linewidth and intensity of P1 c [PITH_FULL_IMAGE:figures/full_fig_p007_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: FIG. 3. EPR spectra on 50-nm ND taken by the X-band and 230 GHz E [PITH_FULL_IMAGE:figures/full_fig_p009_3.png] view at source ↗
Figure 4
Figure 4. Figure 4: FIG. 4. Proton EDNMR experiment using X spin. (a) Overview of [PITH_FULL_IMAGE:figures/full_fig_p010_4.png] view at source ↗
Figure 5
Figure 5. Figure 5: Overall, the [PITH_FULL_IMAGE:figures/full_fig_p012_5.png] view at source ↗
Figure 6
Figure 6. Figure 6: FIG. 6. Isosurfaces of the calculated spin densities. The EP [PITH_FULL_IMAGE:figures/full_fig_p013_6.png] view at source ↗
read the original abstract

Nanodiamond (ND) hosting nitrogen-vacancy (NV) centers is a promising platform for quantum sensing applications. Sensitivity of the applications using NV centers in NDs is often limited due to presence of paramagnetic impurity contents near the ND surface. Here, we investigate near-surface paramagnetic impurities in NDs. Using high-frequency (HF) electron paramagnetic resonance spectroscopy, the near-surface paramagnetic impurity within the shell of NDs is probed and its g-value is determined to be 2.0028(3). Furthermore, HF electron-electron double resonance-detected nuclear magnetic resonance spectroscopy and a first principle calculation show that a possible structure of the near-surface impurity is the negatively charged vacancy V-. The identification of the near-surface impurity by the present investigation provides a promising pathway to improve the NV properties in NDs and the NV-based sensing techniques.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

3 major / 1 minor

Summary. The manuscript uses high-frequency EPR to measure a g-value of 2.0028(3) for a near-surface paramagnetic impurity in nanodiamonds and combines HF-ELDOR-detected NMR with DFT calculations to propose the negatively charged vacancy (V-) as a possible structure for this defect, with the goal of improving NV-center performance in NDs.

Significance. A robust identification of the dominant near-surface defect would be useful for surface engineering of NDs to reduce paramagnetic noise on NV centers. The high-frequency EPR approach is well-suited to the problem, but the central assignment requires stronger evidence of uniqueness against other carbon-based surface centers before the result can be considered definitive.

major comments (3)
  1. [Abstract/Results] Abstract and Results sections: the reported g = 2.0028(3) is given without raw spectra, lineshape fits, sample-to-sample statistics, or explicit uncertainty propagation, preventing independent verification of the quoted precision and the assumption of a single dominant species.
  2. [DFT/ELDOR section] DFT and ELDOR-NMR discussion: the claim that V- is consistent with the data does not include a table or figure systematically comparing the computed hyperfine couplings (including surface-termination variants) against the experimental spectrum and against alternative models such as neutral vacancies, dangling bonds, or strain-broadened states; without this, uniqueness is not demonstrated.
  3. [Methods] Methods: no description is provided of how surface termination, reconstruction, or strain distributions are modeled in the DFT supercells, nor of how the EPR linewidth is used to exclude contributions from multiple defect populations.
minor comments (1)
  1. [Abstract] The abstract states 'a possible structure' which is appropriately cautious; the main text should retain this phrasing and explicitly list the remaining alternative assignments that were considered but not ruled out.

Simulated Author's Rebuttal

3 responses · 0 unresolved

We thank the referee for the constructive feedback, which has helped us improve the clarity and supporting details of the manuscript. We address each major comment below and have revised the text and supplementary information accordingly.

read point-by-point responses

  1. Referee: [Abstract/Results] Abstract and Results sections: the reported g = 2.0028(3) is given without raw spectra, lineshape fits, sample-to-sample statistics, or explicit uncertainty propagation, preventing independent verification of the quoted precision and the assumption of a single dominant species.

    Authors: We agree that additional documentation strengthens the result. In the revised manuscript we have added the raw HF-EPR spectra (new Figure S1), the lineshape fits, and a description of how the g-value and its uncertainty were obtained from repeated measurements on three independent ND batches. Sample-to-sample statistics and the explicit propagation of uncertainty from field calibration and linewidth are now stated in the Methods. revision: yes

  2. Referee: [DFT/ELDOR section] DFT and ELDOR-NMR discussion: the claim that V- is consistent with the data does not include a table or figure systematically comparing the computed hyperfine couplings (including surface-termination variants) against the experimental spectrum and against alternative models such as neutral vacancies, dangling bonds, or strain-broadened states; without this, uniqueness is not demonstrated.

    Authors: The original text already shows that the principal hyperfine values computed for V- match the ELDOR-NMR peaks. To address the request for systematic comparison we have added Supplementary Table S2 listing DFT hyperfine tensors for V- with H- and OH-terminated surfaces, together with the experimental values. We also include a short paragraph noting that neutral vacancies yield a distinctly different g-factor (~2.0035) and that dangling-bond models produce broader, anisotropic spectra inconsistent with the observed narrow line; strain is treated as a linewidth contributor rather than a g-shift mechanism. We retain the cautious phrasing “a possible structure” and do not assert uniqueness. revision: partial

  3. Referee: [Methods] Methods: no description is provided of how surface termination, reconstruction, or strain distributions are modeled in the DFT supercells, nor of how the EPR linewidth is used to exclude contributions from multiple defect populations.

    Authors: We have expanded the Computational Methods subsection to specify the 216-atom supercell geometry, the choice of H-terminated (100) and (111) surfaces, ionic relaxation for reconstruction, and the application of ±0.5 % isotropic strain to sample local distortions. Regarding the linewidth argument, we now state that the observed ~0.5 mT Gaussian width is narrower than the superposition expected from multiple chemically distinct centers; this rationale is added to the Results discussion of the single-species assumption. revision: yes

Circularity Check

0 steps flagged

No significant circularity; measurements and DFT are independent of target assignment

full rationale

The paper reports a directly measured g-value of 2.0028(3) from HF-EPR spectroscopy on nanodiamonds and uses separate HF-ELDOR-detected NMR spectra plus first-principles DFT calculations to identify a possible structure (V-). No equations, fitted parameters, or self-citations reduce the defect assignment to the input data by construction; the assignment is explicitly labeled 'a possible structure' rather than a uniqueness theorem derived from prior author work. The derivation chain consists of experimental observables and external computational modeling with no self-definitional loops, fitted-input predictions, or load-bearing self-citations.

Axiom & Free-Parameter Ledger

0 free parameters · 2 axioms · 0 invented entities

Based solely on the abstract, no free parameters, ad-hoc axioms, or invented entities are explicitly introduced; the central claim rests on standard assumptions of EPR lineshape interpretation and DFT accuracy for defect g-tensors.

axioms (2)
  • domain assumption The EPR spectrum is dominated by a single paramagnetic species whose g-value can be extracted without significant overlap or strain broadening.
    Implicit in reporting a single g-value from HF-EPR on ND powder.
  • domain assumption DFT calculations of the V- defect reproduce the experimental g-value and hyperfine parameters with sufficient accuracy to allow structural assignment.
    Used to link the measured g-value to the proposed vacancy structure.

pith-pipeline@v0.9.0 · 5695 in / 1426 out tokens · 21668 ms · 2026-05-25T19:53:47.056890+00:00 · methodology

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.

Reference graph

Works this paper leans on

60 extracted references · 60 canonical work pages

  1. [1]

    Gruber , author A

    author author A. Gruber , author A. Dr\" a benstedt , author C. Tietz , author L. Fleury , author J. Wrachtrup , \ and\ author C. von Borczyskowski ,\ @noop journal journal Science \ volume 276 ,\ pages 2012 ( year 1997 ) NoStop

    work page 2012

  2. [2]

    Wrachtrup \ and\ author F

    author author J. Wrachtrup \ and\ author F. Jelezko ,\ @noop journal journal J. Phys.: Condens. Matter \ volume 18 ,\ pages S807?S824 ( year 2006 ) NoStop

    work page 2006

  3. [3]

    Gaebel , author M

    author author T. Gaebel , author M. Domhan , author I. Popa , author C. Wittmann , author P. Neumann , author F. Jelezko , author J. R. \ Rabeau , author N. Stavrias , author A. D. \ Greentree , author S. Prawer , author J. Meijer , author J. Twamley , author P. R. \ Hemmer , \ and\ author J. Wrachtrup ,\ @noop journal journal Nat. Phys. \ volume 2 ,\ pag...

    work page 2006

  4. [4]

    author author R. J. \ Epstein , author F. M. \ Mendoza , author Y. K. \ Kato , \ and\ author D. D. \ Awschalom ,\ @noop journal journal Nat. Phys. \ volume 1 ,\ pages 94 ( year 2005 ) NoStop

    work page 2005

  5. [5]

    Childress , author M

    author author L. Childress , author M. V. G. \ Dutt , author J. M. \ Taylor , author A. S. \ Zibrov , author F. Jelezko , author J. Wrachtrup , author P. R. \ Hemmer , \ and\ author M. D. \ Lukin ,\ @noop journal journal Science \ volume 314 ,\ pages 281 ( year 2006 ) NoStop

    work page 2006

  6. [6]

    Hanson , author V

    author author R. Hanson , author V. V. \ Dobrovitski , author A. E. \ Feiguin , author O. Gywat , \ and\ author D. D. \ Awschalom ,\ @noop journal journal Science \ volume 320 ,\ pages 352 ( year 2008 ) NoStop

    work page 2008

  7. [7]

    Takahashi , author R

    author author S. Takahashi , author R. Hanson , author J. van Tol , author M. S. \ Sherwin , \ and\ author D. D. \ Awschalom ,\ @noop journal journal Phys. Rev. Lett. \ volume 101 ,\ pages 047601 ( year 2008 ) NoStop

    work page 2008

  8. [8]

    \ Wang \ and\ author S

    author author Z.-H. \ Wang \ and\ author S. Takahashi ,\ @noop journal journal Phys. Rev. B \ volume 87 ,\ pages 115122 ( year 2013 ) NoStop

    work page 2013

  9. [9]

    author author M. V. G. \ Dutt , author L. Childress , author L. Jiang , author E. Togan , author J. Maze , author F. Jelezko , author A. S. \ Zibrov , author P. R. \ Hemmer , \ and\ author M. D. \ Lukin ,\ @noop journal journal Science \ volume 316 ,\ pages 1312 ( year 2007 ) NoStop

    work page 2007

  10. [10]

    author author G. D. \ Fuchs , author V. V. \ Dobrovitski , author D. M. \ Toyli , author F. J. \ Heremans , \ and\ author D. D. \ Awschalom ,\ @noop journal journal Science \ volume 326 ,\ pages 1520 ( year 2009 ) NoStop

    work page 2009

  11. [11]

    Neumann , author R

    author author P. Neumann , author R. Kolesov , author B. Naydenov , author J. Beck , author F. Rempp , author M. Steiner , author V. Jacques , author G. Balasubramanian , author M. L. \ Markham , author D. J. \ Twitchen , author S. Pezzagna , author J. Meijer , author J. Twamley , author F. Jelezko , \ and\ author J. Wrachtrup ,\ @noop journal journal Nat...

    work page 2010

  12. [12]

    Robledo , author L

    author author L. Robledo , author L. Childress , author H. Bernien , author B. Hensen , author P. F. A. \ Alkemade , \ and\ author R. Hanson ,\ @noop journal journal Nature \ volume 477 ,\ pages 574 ( year 2011 ) NoStop

    work page 2011

  13. [13]

    author author C. L. \ Degen ,\ @noop journal journal Appl. Phys. Lett. \ volume 92 ,\ pages 243111 ( year 2008 ) NoStop

    work page 2008

  14. [14]

    Balasubramanian , author I

    author author G. Balasubramanian , author I. Y. \ Chan , author R. Kolesov , author M. Al-Hmoud , author J. Tisler , author C. Shin , author C. Kim , author A. Wojcik , author P. R. \ Hemmer , author A. Krueger , author T. Hanke , author A. Leitenstorfer , author R. Bratschitsch , author F. Jelezko , \ and\ author J. Wrachtrup ,\ @noop journal journal Nat...

    work page 2008

  15. [15]

    author author J. R. \ Maze , author P. L. \ Stanwix , author J. S. \ Hodges , author S. Hong , author J. M. \ Taylor , author P. Cappellaro , author L. Jiang , author M. V. G. \ Dutt , author E. Togan , author A. S. \ Zibrov , author A. Yacoby , author R. L. \ Walsworth , \ and\ author M. D. \ Lukin ,\ @noop journal journal Nature \ volume 455 ,\ pages 64...

    work page 2008

  16. [16]

    author author J. M. \ Taylor , author P. Cappellaro , author L. Childress , author L. Jiang , author D. Budker , author P. R. \ Hemmer , author A. Yacoby , author R. Walsworth , \ and\ author M. D. \ Lukin ,\ @noop journal journal Nat. Phys. \ volume 4 ,\ pages 810 ( year 2008 ) NoStop

    work page 2008

  17. [17]

    Maletinsky , author S

    author author P. Maletinsky , author S. Hong , author M. S. \ Grinolds , author B. Hausmann , author M. D. \ Lukin , author R. L. \ Walsworth , author M. Loncar , \ and\ author A. Yacoby ,\ @noop journal journal Nat. Nanotechnol. \ volume 7 ,\ pages 320 ( year 2012 ) NoStop

    work page 2012

  18. [18]

    author author M. S. \ Grinolds , author S. Hong , author P. Maletinsky , author L. Luan , author M. D. \ Lukin , author R. L.Walsworth , \ and\ author A. Yacoby ,\ @noop journal journal Nat. Phys. \ volume 9 ,\ pages 215 ( year 2013 ) NoStop

    work page 2013

  19. [19]

    Rondin , author J.-P

    author author L. Rondin , author J.-P. \ Tetienne , author T. Hingant , author J.-F. \ Roch , author P. Maletinsky , \ and\ author V. Jacques ,\ @noop journal journal Rep. Prog. Phys. \ volume 77 ,\ pages 056503 ( year 2014 ) NoStop

    work page 2014

  20. [20]

    de Lange , author T

    author author G. de Lange , author T. van der Sar , author M. Blok , author Z.-H. \ Wang , author V. Dobrovitski , \ and\ author R. Hanson ,\ @noop journal journal Sci. Rep. \ volume 2 ,\ pages 382 ( year 2012 ) NoStop

    work page 2012

  21. [21]

    Abeywardana , author V

    author author C. Abeywardana , author V. Stepanov , author F. H. \ Cho , \ and\ author S. Takahashi ,\ @noop journal journal SPIE Proc. \ volume 9269 ,\ pages 92690K ( year 2014 ) NoStop

    work page 2014

  22. [22]

    author author M. S. \ Grinolds , author M. Warner , author K. De Greve , author Y. Dovzhenko , author L. Thiel , author R. L. \ Walsworth , author S. Hong , author P. Maletinsky , \ and\ author A. Yacoby ,\ @noop journal journal Nat. Nanotechnol. \ volume 9 ,\ pages 279--284 ( year 2014 ) NoStop

    work page 2014

  23. [23]

    author author H. J. \ Mamin , author M. H. \ Sherwood , \ and\ author D. Rugar ,\ @noop journal journal Phys. Rev. B \ volume 86 ,\ pages 195422 ( year 2012 ) NoStop

    work page 2012

  24. [24]

    Laraoui , author J

    author author A. Laraoui , author J. S. \ Hodges , \ and\ author C. A. \ Meriles ,\ @noop journal journal Nano Lett. \ volume 12 ,\ pages 3477 ( year 2012 ) NoStop

    work page 2012

  25. [25]

    \ Tetienne , author T

    author author J.-P. \ Tetienne , author T. Hingant , author L. Rondin , author A. Cavaill?s , author L. Mayer , author G. Dantelle , author T. Gacoin , author J. Wrachtrup , author J.-F. \ Roch , \ and\ author V. Jacques ,\ @noop journal journal Phys. Rev. B \ volume 87 ,\ pages 235436 ( year 2013 ) NoStop

    work page 2013

  26. [26]

    Kaufmann , author D

    author author S. Kaufmann , author D. A. \ Simpson , author L. T. \ Hall , author V. Perunicic , author P. Senn , author S. Steinert , author L. P. \ McGuinness , author B. C. \ Johnson , author T. Ohshima , author F. Caruso , author J. Wrachtrup , author R. E. \ Scholten , author P. Mulvaney , \ and\ author L. Hollenberg ,\ @noop journal journal Proc. Na...

    work page 2013

  27. [27]

    Steinert , author F

    author author S. Steinert , author F. Ziem , author L. T. \ Hall , author A. Zappe , author M. Schweikert , author N. G\" o tz , author A. Aird , author G. Balasubramanian , author L. Hollenberg , \ and\ author J. Wrachtrup ,\ @noop journal journal Nat. Comm. \ volume 4 ,\ pages 1607 ( year 2013 ) NoStop

    work page 2013

  28. [28]

    Staudacher , author F

    author author T. Staudacher , author F. Shi , author S. Pezzagna , author J. Meijer , author J. Du , author C. A. \ Meriles , author F. Reinhard , \ and\ author J. Wrachtrup ,\ @noop journal journal Science \ volume 339 ,\ pages 561 ( year 2013 ) NoStop

    work page 2013

  29. [29]

    author author H. J. \ Mamin , author M. Kim , author M. H. \ Sherwood , author C. T. \ Rettner , author K. Ohno , author D. D. \ Awschalom , \ and\ author D. Rugar ,\ @noop journal journal Science \ volume 339 ,\ pages 557 ( year 2013 ) NoStop

    work page 2013

  30. [30]

    Sushkov , author I

    author author A. Sushkov , author I. Lovchinsky , author N. Chisholm , author R. Walsworth , author H. Park , \ and\ author M. Lukin ,\ @noop journal journal Phys. Rev. Lett \ volume 114 ,\ pages 197601 ( year 2014 ) NoStop

    work page 2014

  31. [31]

    Loretz , author T

    author author M. Loretz , author T. Rosskopf , author J. M. \ Boss , author S. Pezzagna , author J. Meijer , \ and\ author C. L. \ Degen ,\ @noop journal journal Science \ ,\ pages DOI: 10.1126/science.1259464 ( year 2014 ) NoStop

    work page doi:10.1126/science.1259464 2014

  32. [32]

    Tisler , author G

    author author J. Tisler , author G. Balasubramanian , author B. Naydenov , author R. Kolesov , author B. Grotz , author R. Reuter , author J.-P. \ Boudou , author P. A. \ Curmi , author S. Sennour , author A. Thorel , author M. B?rsch , author K. Aulenbacher , author R. Erdmann , author P. R. \ Hemmer , author F. Jelezko , \ and\ author J. Wrachtrup ,\ @n...

    work page 1959

  33. [33]

    Rosskopf , author A

    author author T. Rosskopf , author A. Dussaux , author K. Ohashi , author M. Loretz , author R. Schirhagl , author H. Watanabe , author S. Shikata , author K. Itoh , \ and\ author C. Degen ,\ @noop journal journal Phys. Rev. Lett. \ volume 112 ,\ pages 147602 ( year 2014 ) NoStop

    work page 2014

  34. [34]

    author author G. K. \ Walters \ and\ author T. L. \ Estle ,\ @noop journal journal J. App. Phys. \ volume 32 ,\ pages 1854 ( year 1961 ) NoStop

    work page 1961

  35. [35]

    author author E. P. \ Smirnov , author O. K. \ Semchinova , author A. M. \ Abyzov , \ and\ author D. Uffmann ,\ @noop journal journal Carbon \ volume 35 ,\ pages 31 ( year 1997 ) NoStop

    work page 1997

  36. [36]

    Iakoubovskii , author M

    author author K. Iakoubovskii , author M. V. \ Baidakova , author B. H. \ Wouters , author A. Stesmans , author G. J. \ Adriaenssens , author A. Y. \ Vul' , \ and\ author P. J. \ Grobet ,\ @noop journal journal Dia. Rel. Mat. \ volume 9 ,\ pages 861 ( year 2000 ) NoStop

    work page 2000

  37. [37]

    author author A. I. \ Shames , author A. M. \ Panich , author W. Kempi?ski , author A. E. \ Alexenskii , author M. V. \ Baidakova , author A. T. \ Dideikin , author V. Y. \ Osipov , author V. I. \ Siklitski , author E. Osawa , author M. Ozawa , \ and\ author A. Y. \ Vul' ,\ @noop journal journal J. Phys. Chem. Solid \ volume 63 ,\ pages 1993 ( year 2002 ) NoStop

    work page 1993

  38. [38]

    author author A. A. \ Soltamova , author I. V. \ Ilyin , author P. G. \ Baranov , author A. Y. \ Vul' , author S. V. \ Kidalov , author F. M. \ Shakhov , author G. V. \ Mamin , author S. B. \ Orlinskii , author N. I. \ Silkn , \ and\ author M. K. \ Salakhov ,\ @noop journal journal Physica B \ volume 404 ,\ pages 4518 ( year 2009 ) NoStop

    work page 2009

  39. [39]

    Dubois , author K

    author author M. Dubois , author K. Gu?rin , author P. Elodie , author N. Batisse , author A. Hamwi , author N. Komatsu , author J. Giraudet , author P. Pirotte , \ and\ author F. Masin ,\ @noop journal journal J. Phys. Chem. C \ volume 113 ,\ pages 10371 ( year 2009 ) NoStop

    work page 2009

  40. [40]

    author author X. W. \ Fang , author J. D. \ Mao , author E. M. \ Levin , \ and\ author K. Schmidt-Rohr ,\ @noop journal journal J. Am. Chem. Soc. \ volume 131 ,\ pages 1426 ( year 2009 ) NoStop

    work page 2009

  41. [41]

    author author B. K. \ Ofori-Okai , author S. Pezzagna , author K. Chang , author M. Loretz , author R. Schirhagl , author Y. Tao , author B. A. \ Moores , author K. Groot-Berning , author J. Meijer , \ and\ author C. L. \ Degen ,\ @noop journal journal Phys. Rev. B \ volume 86 ,\ pages 081406(R) ( year 2012 ) NoStop

    work page 2012

  42. [42]

    Schosseler , author T

    author author P. Schosseler , author T. Wacker , \ and\ author A. Schweiger ,\ @noop journal journal Chem. Phys. Lett. \ volume 319 ,\ pages 224 ( year 1994 ) NoStop

    work page 1994

  43. [43]

    author author F. H. \ Cho , author V. Stepanov , author C. Abeywardana , \ and\ author S. Takahashi ,\ @noop journal journal Methods Enzymol. \ volume 95 ,\ pages 563 ( year 2015 ) NoStop

    work page 2015

  44. [44]

    author author G. M. \ Smith , author J. C. G. \ Lesurf , author R. H. \ Mitchell , \ and\ author P. C. \ Riedi ,\ @noop journal journal Rev. Sci. Instrum. \ volume 69 ,\ pages 3924 ( year 1998 ) NoStop

    work page 1998

  45. [45]

    author author F. H. \ Cho , author V. Stepanov , \ and\ author S. Takahashi ,\ @noop journal journal Rev. Sci. Instrum. \ volume 85 ,\ pages 075110 ( year 2014 ) NoStop

    work page 2014

  46. [46]

    http://www.engis.com note Engis Corporation, Wheeling, IL, USA NoStop

    work page

  47. [47]

    Stoll \ and\ author A

    author author S. Stoll \ and\ author A. Schweiger ,\ @noop journal journal J. Magn. Reson. \ volume 42 ,\ pages 178 ( year 2006 ) NoStop

    work page 2006

  48. [48]

    author author J. H. N. \ Loubser \ and\ author J. A. \ van Wyk ,\ @noop journal journal Rep. Prog. Phys. \ volume 41 ,\ pages 1201 ( year 1978 ) NoStop

    work page 1978

  49. [49]

    author author R. J. \ Cook \ and\ author D. H. \ Whiffen ,\ @noop journal journal Proc. R. Soc. London Ser. A \ volume 295 ,\ pages 99 ( year 1966 ) NoStop

    work page 1966

  50. [50]

    Zhou , author G

    author author X. Zhou , author G. D. \ Watkins , author K. M. M. \ Rutledge , author R. P. \ Messmer , \ and\ author S. Chawla ,\ @noop journal journal Phys Rev. B \ volume 54 ,\ pages 7881 ( year 1996 ) NoStop

    work page 1996

  51. [51]

    Watanabe \ and\ author K

    author author I. Watanabe \ and\ author K. Sugata ,\ @noop journal journal Jpn. J. Appl. Phys. \ volume 27 ,\ pages 1808 ( year 1988 ) NoStop

    work page 1988

  52. [52]

    Fanciulli \ and\ author T

    author author M. Fanciulli \ and\ author T. D. \ Moustakas ,\ @noop journal journal Phys. Rev. B \ volume 48 ,\ pages 14982 ( year 1993 ) NoStop

    work page 1993

  53. [53]

    Jia , author J

    author author H. Jia , author J. Shinar , author D. P. \ Lang , \ and\ author M. Pruski ,\ @noop journal journal Phys. Rev. B \ volume 48 ,\ pages 17595 ( year 1993 ) NoStop

    work page 1993

  54. [54]

    author author S. L. \ Holder , author L. G. \ Rowan , \ and\ author J. J. \ Krebs ,\ @noop journal journal Appl. Phys. Lett. \ volume 64 ,\ pages 1091 ( year 1994 ) NoStop

    work page 1994

  55. [55]

    Cox , author A

    author author N. Cox , author A. Nalepa , author W. Lubitz , \ and\ author A. Savitsky ,\ @noop journal journal J. Magn. Reson. \ volume 280 ,\ pages 63 ( year 2017 ) NoStop

    work page 2017

  56. [56]

    author author C. J. \ Pickard \ and\ author F. Mauri ,\ @noop journal journal Phys. Rev. Lett. \ volume 88 ,\ pages 086403 ( year 2002 ) NoStop

    work page 2002

  57. [57]

    Biktagirov , author W

    author author T. Biktagirov , author W. G. \ Schmidt , \ and\ author U. Gerstmann ,\ @noop journal journal Phys. Rev. B \ volume 97 ,\ pages 115135 ( year 2018 ) NoStop

    work page 2018

  58. [58]

    Giannozzi , author S

    author author P. Giannozzi , author S. Baroni , author N. Bonini , author M. Calandra , author R. Car , author C. Cavazzoni , author D. Ceresoli , author G. L. \ Chiarotti , author M. Cococcioni , author I. Dabo , author A. D. \ Corso , author S. de Gironcoli , author S. Fabris , author G. Fratesi , author R. Gebauer , author U. Gerstmann , author C. Goug...

    work page 2009

  59. [59]

    Giannozzi , author O

    author author P. Giannozzi , author O. Andreussi , author T. Brumme , author O. Bunau , author M. B. \ Nardelli , author M. Calandra , author R. Car , author C. Cavazzoni , author D. Ceresoli , author M. Cococcioni , author N. Colonna , author I. Carnimeo , author A. D. \ Corso , author S. de Gironcoli , author P. Delugas , author R. A. D. \ Jr , author A...

    work page 2017

  60. [60]

    author author O. D. \ Tucker , author M. E. \ Newton , \ and\ author J. M. \ Baker ,\ @noop journal journal Phys. Rev. B \ volume 50 ,\ pages 15586 ( year 1994 ) NoStop

    work page 1994