...ENDOR

`NL' stands for the Netherlands, where one of the major ENDOR groups is based

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...Czochralski

Pronounced choh-KRAL-skee

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...Cz-Si

Large quantities of oxygen in silicon were first reported from optical absorption experiments in the 1950s [2].

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...Si

Bob Falster from MEMC, at the NATO ARW `Oxygen '96', said that the biggest question facing Si researchers was, `What happens in the first ten minutes of annealing?'

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...donors

Thermal donors were first observed in 1954 by Fuller et al [8]

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...samples

Rob Ammerlaan: `Its [H] traces were also observed in almost all the samples that were not intentionally diffused with hydrogen, confirming the hydrogen contamination of commercially available high-grade silicon' [10,11]

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...HREF="node51.html#fig:inp_clus">4.1a)

AIMPRO can also tackle much larger problems, given sufficient computing time; it has been used to self-consistently relax an 840 atom carbon `bucky-onion', one of the largest DFT calculations performed to date.

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...Cz-Si

The experimental work was also performed in collaboration with Vladimir Markevich and Leonard Murin.

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...species

There seems no obvious pattern to the choice of occupancies and for this reason pseudo-potential generation is often seen as something of a `black art'.

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...$\beta_{\mu\nu}$)

These determine the chemical bonding in the system.

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...bulk

1 Ry = 13.6058eV

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...gaps

In the case of diamond these two effects almost cancel, giving an AIMPRO calculated bandgap of 5.0 eV in a 71 atom cluster, C₃₅H₃₆, compared to the experimental figure of 5.5 eV[47].

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...community

Rob Ammerlaan, in the NATO Oxygen'96 ARW proceedings says, `By inspection of the [...] unsolved problems related to TDs one concludes that whereas the general properties of these centres are well studied and, for the major part, understood, the microscopic picture is nearly completely missing'.

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...literature

Seamus McQuaid, private communication, `Some of the experimental (not to mention theoretical) data must be misleading'

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...data

Be warned that these arguments necessarily become quite involved, and a stiff drink may be required!

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...path

Using an analogy of Bobs, TD1 and TD2 are `neanderthal species' that form in parallel to the evolution of trimers to TD3, and die out during the annealing.

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...research

Dimer modelling described here led successful experimental research to find further absorption modes.

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