Toggle Main Menu Toggle Search

Open Access padlockePrints

Ab initio modeling of Be-H and Zn-H complexes in Si

Lookup NU author(s): Dr Jose Coutinho, Professor Patrick Briddon

Downloads

Full text for this publication is not currently held within this repository. Alternative links are provided below where available.


Abstract

The interaction between hydrogen and group-II double acceptors Zn and Be in crystalline silicon is investigated by ab initio modeling. Observables like defect binding energies, local vibrational modes and electrical levels of Zn-H and Be-H are calculated and compared with the available measurements. Energetics indicate that whereas in Zn-H the formation of a strongly buckled Zn-H-Si unit is favored, in Be-H the hydrogen atom prefers to sit near the C-site. We show that the H atom is almost free to hop within the space enclosed between the substitutional impurity and its Si neighbors. © 2003 Elsevier B.V. All rights reserved.


Publication metadata

Author(s): Briddon PR; Coutinho J; Torres VJB

Editor(s): Bonde Nielsen K., Nylandsted Larsen A., Weyer G.

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: Physica B: Condensed Matter, 22nd International Conference on Defects in (ICDS-22)

Year of Conference: 2003

Pages: 664-667

ISSN: 0921-4526

Publisher: Elsevier BV

URL: http://dx.doi.org/10.1016/j.physb.2003.09.106

DOI: 10.1016/j.physb.2003.09.106


Actions

Find at Newcastle University icon    Link to this publication


Share