Titanium in silicon: Lattice positions and electronic properties

Markevich, V. P.; Leonard, S.; Peaker, А. R.; Hamilton, B.; Marinopoulos, A. G.; Coutinho, J.

doi:10.1063/1.4871702

Cited by 21 publications

(17 citation statements)

References 29 publications

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“…References [6,7,9] also reported intermediate band gap levels between EV + 0.51 eV and EV + 0.55 eV. CTLs were also predicted within the framework of Density Functional Theory (DFT) [3,[12][13][14] and the parametrized method DFT+U [15], in fair agreement with most experimental measurements. In the context of standard DFT, however, there is no grounded theoretical foundation for an accurate prediction of CTLs.…”

Section: Introductionsupporting

confidence: 65%

Electronic and structural properties of interstitial titanium in crystalline silicon from first-principles simulations

Herrero-Saboya

Martin‐Samos

Hémeryck

et al. 2019

2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD)

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Section: Introductionsupporting

confidence: 65%

Electronic and structural properties of interstitial titanium in crystalline silicon from first-principles simulations

Herrero-Saboya

Martin‐Samos

Hémeryck

et al. 2019

2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD)

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“…To date, we have shown this effect to occur for two of the three transition metals discussed so far in this paper, titanium and vanadium, when excess vacancies are introduced by implantation . For both of these metals, displacement to the substitutional site has been observed in float zone silicon implanted with metal ions after annealing at high temperature.…”

Section: Lattice Site Changes As a Route For Reduced Recombinationmentioning

confidence: 68%

“…At this site, these atoms have a significantly lower diffusivity, accounting for the discrepancy in redistribution between the two materials. It was also concluded that as no further evidence of electrical activity was observed either in capacitance‐voltage measurements or in DLTS that the TM atoms are electrically inactive at this site .…”

Section: Lattice Site Changes As a Route For Reduced Recombinationmentioning

confidence: 99%

Recombination via transition metals in solar silicon: The significance of hydrogen–metal reactions and lattice sites of metal atoms

Mullins

Leonard

Markevich

et al. 2017

Physica Status Solidi (a)

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This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.The move toward lower cost sources of solar silicon has intensified the efforts to investigate the possibilities of passivating or reducing the recombination activity caused by deep states associated with transition metals. This is particularly important for the case of the slow diffusing metals early in the periodic sequence which are not removed by conventional gettering. In this paper, we examine reactions between hydrogen and transition metals and discuss the possibility of such reactions during cell processing. We analyse the case of hydrogenation of iron in p-type Si and show that FeH can form under non-equilibrium conditions. We consider the electrical activity of the slow diffusing metals Ti, V, and Mo, how this is affected in the presence of hydrogen, and the stability of TM-H complexes formed. Finally, we discuss recent experiments which indicate that re-siting of some transition metals from the interstitial to substitutional site is possible in the presence of excess vacancies, leading to a reduction in recombination activity.Periodic ordering of the 3d, 4d, and 5d transition metals with adjacent columns of the periodic table. The metals with hydrogen complexes which have had their electronic properties reported in the literature or in this paper are highlighted in green.

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“…One should notice that the Ti-related defects observed in Ref. 16 were shown to anneal out already at 650 C, whereas higher annealing temperatures (around 900-1100 C) were reported for the double donor Ti-related defect (H180) in p-type Si. 11 The discrepancy in annealing temperatures could be a result of the modification of the nearest neighborhood of the Ti-related defects by the implantation with heavy ions.…”

mentioning

confidence: 84%

“…Recently, Markevich et al 16 studied float-zone (FZ) Si after implantation with Ti ions and subsequent annealing at 650 or 800 C. By comparing secondary ion mass spectroscopy and DLTS depth profiles electrically active substitutional Ti species were excluded to appear in Si. The three dominant DLTS peaks observed in that study were attributed to the single acceptor, the single donor, and the double donor of interstitial Ti.…”

mentioning

confidence: 99%

Isolated Ti in Si: Deep level transient spectroscopy, minority carrier transient spectroscopy, and high-resolution Laplace deep level transient spectroscopy studies

Scheffler

Kolkovsky

Weber

2015

Journal of Applied Physics

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Determination of traps in poly(p-phenylene vinylene) light emitting diodes by charge-based deep level transient spectroscopyCombining deep level transient spectroscopy (DLTS), high-resolution Laplace DLTS, and minority carrier transient spectroscopy studies, we question the identification of the dominant Ti-related defects introducing deep levels (E40, E150, and H180) in n-and p-type Si. The observed results cannot unambiguously support the models previously reported for these defects. The presence of the Poole-Frenkel effect describing the enhancement of the emission rates of E40 as a function of electric field is not consistent with the previous assignment of this defect to the single acceptor, whereas the absence of the enhancement of the emission rate of E150 under different reverse bias applied to the diode does not confirm the previous attribution of this defect to the single donor in n-type Si. The attribution of H180 to the double donor is in good agreement with our results. In contrast, the identical depth profiles obtained for E40 and E150 in bulk of as-grown, hydrogenated and annealed samples cannot be explained by the assignment of these levels to different defects. V C 2015 AIP Publishing LLC. [http://dx.

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Titanium in silicon: Lattice positions and electronic properties

Cited by 21 publications

References 29 publications

Electronic and structural properties of interstitial titanium in crystalline silicon from first-principles simulations

Electronic and structural properties of interstitial titanium in crystalline silicon from first-principles simulations

Recombination via transition metals in solar silicon: The significance of hydrogen–metal reactions and lattice sites of metal atoms

Isolated Ti in Si: Deep level transient spectroscopy, minority carrier transient spectroscopy, and high-resolution Laplace deep level transient spectroscopy studies

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