Recoil-implanted<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow /><mml:mrow><mml:mn>57</mml:mn></mml:mrow></mml:msup></mml:mrow><mml:mi mathvariant="normal">Fe</mml:mi></mml:math>in diamond

Bharuth‐Ram, K.; Hartick, M.; Kankeleit, E.; Dorn, C.; Held, P.; Sielemann, R.; Liu, Wende; Kübler, J.; Sellschop, J.P.F.

doi:10.1103/physrevb.58.8955

Cited by 14 publications

(5 citation statements)

References 16 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…IS values for Fe i in Ge, Diamond and Fe i,C in SiC match the experimental results, and for all other IS values the agreement is within 0.04 mm/s and 0.14 mm/s. It is noted that, while the IS obtained for Fe s in Diamond deviates markedly from previous calculations, 38 the difference between the calculation methods most likely accounts for this discrepancy. Notably, the relaxed Fe i -C and Fe s -C distances in Diamond were effectively equal, yet δ(Fe i ) and δ(Fe s ) are 1.08 mm/s apart.…”

Section: Iron In Other Group-iv Semiconductorscontrasting

confidence: 65%

“…For the particular case of defects in semiconductors, these calculations have been hampered by the fact that solid state effects can only be accounted for if defects are embedded in a sufficiently large supercell or cluster. Owing to the computational effort involved, few attempts to calculate the IS and QS of defects were made, 38,41 which invariably implied several limitations and approximations like the use of small supercells, a local or semi-local approach to the electronic exchange-correlation interactions, or a non-relativistic treatment of core states. However, statestate-of-the-art calculations employing (linearized) augmented plane-wave methods (eventually complemented by local orbitals), can account for relativistic core and valence states, as well as anisotropy effects in the core potentials.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Mössbauer parameters of Fe-related defects in group-IV semiconductors: First principles calculations

Wright

Coutinho

Öberg

et al. 2016

Journal of Applied Physics

View full text Add to dashboard Cite

We employ a combination of pseudopotential and all-electron density functional calculations, to relate the structure of defects in supercells to the isomer shifts and quadrupole splittings observed in Mössbauer spectroscopy experiments. The methodology is comprehensively reviewed and applied to the technologically relevant case of iron-related defects in silicon, and to other group-IV hosts to a lesser degree. Investigated defects include interstitial and substitutional iron, iron-boron pairs, iron-vacancy and iron-divacancy. We find that in general, agreement between the calculations and Mössbauer data is within a 10% error bar. Nonetheless, we show that the methodology can be used to make accurate assignments, including to separate peaks of similar defects in slightly different environments.

show abstract

Section: Iron In Other Group-iv Semiconductorscontrasting

confidence: 65%

Section: Introductionmentioning

confidence: 99%

Mössbauer parameters of Fe-related defects in group-IV semiconductors: First principles calculations

Wright

Coutinho

Öberg

et al. 2016

Journal of Applied Physics

View full text Add to dashboard Cite

show abstract

“…Table 1 Isomer shifts (δ) and quadrupole splittings ( E Q ) of the components used to fit the spectra in Fig. 1, together with parameters of substitutional and interstitial Fe and Fe D in 6H-SiC [7], diamond [2], Si [4] and Ge [5] The hyperfine parameters extracted from the analysis are listed in Table 1. The values obtained are in reasonable comparison to the values obtained in 6H-SiC, and deviations are most likely due to the different local structure of the Fe sites.…”

Section: Resultsmentioning

confidence: 99%

“…[1]); in diamond interest is due to the solvent-catalyst role played by Fe and its alloys in diamond synthesis. Both substitutional and interstitial Fe have been identified by Mössbauer spectroscopy in diamond [2,3], Si [4] and Ge [5], and the annealing of implantation induced lattice damage has been studied. The physics of the diffusion characteristics of interstitial Fe in Si has been investigated in detail [1].…”

Section: Introductionmentioning

confidence: 99%

Mössbauer study of Fe in 3C-SiC following 57Mn implantation

Bharuth-Ram

Gunnlaugsson

Mantovan³

et al. 2008

Hyperfine Interact

Self Cite

View full text Add to dashboard Cite

show abstract

“…Studies on ion implanted diamond with Moessbauer 2 spectroscopy (MS) (see Ref. [2] and references contained therein) show spectra that have been generally fitted with a combination of broad doublets, indicative of considerable lattice damage in the immediate vicinity of the probe atom Speculative site assignments have been made on the basis of theoretical calculations of the isomer shifts.…”

mentioning

confidence: 99%

Lattice location of Fe in diamond

Bharuth‐Ram¹,

Wahl²,

Correia³

2003

Nuclear Instruments and Methods in Physics Research Section B:

Self Cite

View full text Add to dashboard Cite

Incorporation of radioactive 59 Fe atoms in diamond was achieved by implanting precursor 59 Mn isotopes, with an energy of 60 keV and to a dose of 8 x 10 12 cm −2 , into a natural type IIa diamond sample at the online isotope separator ISOLDE at CERN. The lattice sites taken up by the Fe atoms, following 59 Mn β − -decays, have been investigated using the emission channeling (EC) technique. Channeling measurements were made on the electrons emitted in the 59 Fe β − decay. Data were collected with a two-dimensional Si pad detector, along <110>, <100> and <111> axial directions from the as-implanted sample and after annealing in vacuum at 600 K, 900 K and 1250 K. The channeling effects showed considerable enhancement with annealing. Fits to the observed patterns with simulations based on the many beam formalism of electron motion through a crystal lattice, show that, after annealing at 1250 K, 65(10)% of the Fe atoms are located at sites with a projected mean displacement 68.55.Ln, Keywords: Fe, diamond, lattice sites, channelling. Contact author :K. Bharuth-Ram, School of Physics, University of Natal, Durban 4041, South Africa Email: bharuthramk@nu.ac.za; Fax.: + 27 31 2616550; Tel.: +27 31 26027751. Introduction Ion beam modification studies of diamond have been prompted by the several extreme but outstanding properties of diamond, such as band gap of 5.4 eV, high thermal conductivity, high heat capacity, high electron and positive carrier mobility, which make it potentially an ideal candidate for the fabrication of semiconducting devices with a wide range of applications. Amongst the natural diamonds the type IIb, with low levels of substitutional boron impurities are p-type semiconducting. However, n-type doping has been more difficult to achieve. In the case of silicon, transition metals of the 3d group introduce deep acceptor and donor levels, and are easily incorporated into the lattice by thermal diffusion near its melting point. These metals, hence, are also expected to be potential dopant candidates in diamond since its crystal is isostructural with that of silicon. The problem that requires to be addressed is that of incorporating the dopant atoms on good lattice sites where they can be electrically active. In diamond, however, its metastable nature as well as the high formation energy of potential dopants make thermal diffusion inapplicable. Ion implantation offers an attractive alternative, provided the implantation induced lattice damage can be annealed.There exist several studies on transition metals in diamond. Electron paramagnetic resonance (epr) studies [1] show that Ni takes substitutional sites in diamond (no EPR study of Fe in diamond has been reported). Studies on ion implanted diamond with Moessbauer No direct measurements of the lattice sites taken up by Fe in diamond, nor of the site occupancy, have been reported. Molecular orbital calculations on Fe sites in diamond by Lowther [3] found substitutional Fe (Fe S ) to be more energetically favoured compared with the Fe at a te...

show abstract

Recoil-implanted57Fein diamond

Cited by 14 publications

References 16 publications

Mössbauer parameters of Fe-related defects in group-IV semiconductors: First principles calculations

Mössbauer parameters of Fe-related defects in group-IV semiconductors: First principles calculations

Mössbauer study of Fe in 3C-SiC following 57Mn implantation

Lattice location of Fe in diamond

Contact Info

Product

Resources

About