Abstract
AbstractThe illustration on the back cover shows the donor wave function found using density functional theory for an interstitial Li species in diamond. The impurity, shown in green at the centre, is a candidate for production of n‐type conducting diamond. Theory shows that the outer, 2s electron of the Li atom is transferred to the diamond lattice and localised in an anti‐bonding combination of carbon sp3 orbitals, effectively breaking a neighbouring C–C bond. The tendency for Li to form localised rather than delocalised hydrogenic shallow donor states, is a common feature found for many other dopant species and complexes in diamond in computational modelling. The tendency to localise and hence form deep levels is a significant obstacle to the generation of low‐resistivity, n‐type doped diamond. The picture relates to the Review Article by J. P. Goss et al. starting on page 1679 in this issue. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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