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Doubly-charged silicon vacancy center, photochromism, and Si-N complexes in co-doped diamond

Autor: Breeze, B G, Meara, C J, Wu, X X, Michaels, C P, Gupta, R, Diggle, P L, Dale, M W, Cann, B L, Ardon, T, D'Haenens-Johansson, U F S, Friel, I, Rayson, M J, Briddon, P R, Goss, J P, Newton, M E, Green, B L

Publikováno v: Phys. Rev. B 101, 184115 (2020)

We report the first experimental observation of a doubly-charged defect in diamond, SiV2-, in silicon and nitrogen co-doped samples. We measure spectroscopic signatures we attribute to substitutional silicon in diamond, and identify a silicon-vacancy

Externí odkaz: http://arxiv.org/abs/2002.01712

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Akademický článek

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Akademický článek

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Report

Doping of Si nanoparticles: the effect of oxidation

Autor: Carvalho, A., Oberg, S., Barroso, M., Rayson, M. J., Briddon, P. R.

Publikováno v: Phys. Rev. B 89, 081406(R) (2014)

The preferred location of boron and phosphorus in oxidized free-standing Si nanoparticles was investigated using a first-principles density functional approach. The calculated formation energies indicate that P should segregate to the silicon core, w

Externí odkaz: http://arxiv.org/abs/1207.0770

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Report

Electronic properties, doping and defects in chlorinated silicon nanocrystals

Autor: Carvalho, A., Öberg, S., Rayson, M. J., Briddon, P. R.

Publikováno v: Phys. Rev. B 86, 045308 (2012)

Silicon nanocrystals with diameters between 1 and 3 nm and surfaces passivated by chlorine or a mixture of chlorine and hydrogen were modeled using density functional theory, and their properties compared with those of fully hydrogenated nanocrystals

Externí odkaz: http://arxiv.org/abs/1111.3307

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Report

Low complexity method for large-scale self-consistent ab initio electronic-structure calculations without localization

Autor: Rayson, M. J.

A novel low complexity method to perform self-consistent electronic-structure calculations using the Kohn-Sham formalism of density functional theory is presented. Localization constraints are neither imposed nor required thereby allowing direct comp

Externí odkaz: http://arxiv.org/abs/physics/0611288

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