3-D-micro-ERDA microscopy of trace hydrogen distributions in diamond using a 2-D-PSD with event reconstruction

Doyle, B.P.; Maclear, R.D.; Connell, S. H.; Formenti, Paola; Machi, I.Z.; Butler, J.E.; Schaaff, Petra; Sellschop, J.P.F.; Sideras‐Haddad, E.; Bharuth‐Ram, K.

doi:10.1016/s0168-583x(97)00367-4

Cited by 16 publications

(5 citation statements)

References 24 publications

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“…Various values have been calculated for the binding energy of the H * 2 pair relative to two bond-centred H defects: 1.5 eV [130] and 2.5 eV [82,124]. The relatively large binding energy is consistent with experimental evidence for self-trapping of hydrogen in diamond [151]. Furthermore, the migration barrier for the hydrogen pair is estimated to be at least 3.5 eV [82,124], and therefore H * 2 constitutes a very stable defect in diamond.…”

Section: Di-hydrogen Aggregatesmentioning

confidence: 65%

Theory of hydrogen in diamond

Goss

2003

J. Phys.: Condens. Matter

175

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Hydrogen is a ubiquitous impurity in diamond but in contrast to other group IV materials the microscopic structure adopted in bulk material has largely remained elusive. It has therefore been the role of modelling to predict the properties of H in bulk diamond, as well as the interactions with impurities and other defects. Presented here is an account of the current theoretical understanding of hydrogen in diamond. Contents1. Introduction 552 2. Theoretical approaches 554 2.1. Hartree-Fock based methods 554 2.2. Density functional methods 555 2.3. Tight-binding approaches 555 2.4. Basis sets and Brillouin zone sampling 556 2.5. Classical versus quantum mechanical treatment of the H atoms 556 2.6. Summary 556 2.7. Calculation of experimental observables 557 3. Muonium and interstitial hydrogen 561 3.1. Muonium hyperfine coupling constants 563 3.2. Electrical activity of isolated hydrogen 564 3.3. Vibrational modes of interstitial H 565 3.4. Diffusion of interstitial hydrogen 565 3.5. Solubility of bond-centred hydrogen 567 3.6. Hydrogen in near-surface region 567 4. Di-hydrogen aggregates 568 5. Hydrogenated lattice vacancies 569

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Section: Di-hydrogen Aggregatesmentioning

confidence: 65%

Theory of hydrogen in diamond

Goss

2003

J. Phys.: Condens. Matter

175

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“…Aside from a few pioneer studies [15][16][17][18][19], the total H content of natural diamonds has not been studied much. The quantity of incorporated H, although suggested to go from a few up to 4000 at.…”

Section: Introductionmentioning

confidence: 99%

Combination of ERDA, FTIR spectroscopy and NanoSIMS for the characterization of hydrogen incorporation in natural diamonds

Vangu,

Bureau,

Khodja

et al. 2023

Diamond and Related Materials

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“…Muons have also been used to examine possible trap sites for hydrogen at nitrogen A-and B-centres [12]. Hydrogen self-trapping has also been explored both theoretically and experimentally [9,29]. Given the importance of hydrogen in the gas phase growth of diamond, it is unsurprising that hydrogen-containing centers form a important class of grown-in electrically and optically active complex defects involving other impurities such as nitrogen and silicon, [30,31] for which density functional based methods have been successfully employed in their elucidation [32][33][34].…”

Section: Introductionmentioning

confidence: 99%