PASSIVATION OF BORON ACCEPTOR IN DIAMOND BY ATOMIC-HYDROGEN - MOLECULAR-ORBITAL LINEAR-COMBINATION-OF-ATOMIC-ORBITALS SIMULATION AND EXPERIMENTAL-DATA

Authors
ULYASHIN AG GELFAND RB SHLOPAK NV ZAITSEV AM DENISENKO AV MELNIKOV AA
Citation
Ag. Ulyashin et al., PASSIVATION OF BORON ACCEPTOR IN DIAMOND BY ATOMIC-HYDROGEN - MOLECULAR-ORBITAL LINEAR-COMBINATION-OF-ATOMIC-ORBITALS SIMULATION AND EXPERIMENTAL-DATA, DIAMOND AND RELATED MATERIALS, 2(12), 1993, pp. 1516-1518
Citations number
10
Categorie Soggetti
Material Science
Journal title
DIAMOND AND RELATED MATERIALS → ACNP
ISSN journal
09259635
Volume
2
Issue
12
Year of publication
1993
Pages
1516 - 1518
Database
ISI
SICI code
0925-9635(1993)2:12<1516:POBAID>2.0.ZU;2-X
Abstract
On the basis of molecular-orbital linear-combination-of-atomic-orbital s calculations of the total energy and electronic structure for the HB C7H18 cluster with tetrahedral coordination, passivation of the boron acceptors by atomic hydrogen in diamond is explained. The most probabl e location of a hydrogen atom passivating the boron acceptor is believ ed to be in the tetrahedral interstitial position nearest to the boron atom. Electrical measurement data obtained on natural diamond implant ed with boron ions and subsequently subjected to hydrogen plasma suppo rt the idea of hydrogen passivation.