Gas-Phase Epitaxy Grown InP(001) Surfaces From Real-Space Finite-Difference Calculations

W. G. Schmidt, P. H. Hahn, K. Seino, M. Preuß and F. Bechstedt
Additional contact information
W. G. Schmidt: Friedrich-Schiller-Universität, Computational Materials Science Group, Institut für Festkörpertheorie und Theoretische Optik
P. H. Hahn: Friedrich-Schiller-Universität, Computational Materials Science Group, Institut für Festkörpertheorie und Theoretische Optik
K. Seino: Friedrich-Schiller-Universität, Computational Materials Science Group, Institut für Festkörpertheorie und Theoretische Optik
M. Preuß: Friedrich-Schiller-Universität, Computational Materials Science Group, Institut für Festkörpertheorie und Theoretische Optik
F. Bechstedt: Friedrich-Schiller-Universität, Computational Materials Science Group, Institut für Festkörpertheorie und Theoretische Optik

A chapter in High Performance Computing in Science and Engineering ’03, 2003, pp 155-166 from Springer

Abstract: Summary Density-functional calculations based on finite-difference discretization and multigrid acceleration are used to explore the atomic and spectroscopic properties of P-rich InP(001)(2x1) surfaces grown in gas-phase epitaxy. These surfaces have been reported to consist of a semiconducting monolayer of buckled phosphorus dimers. This apparent violation of the electron counting principle was explained by effects of strong electron correlation. Our calculations show that the (2x1) reconstruction is not at all a clean surface: it is induced by hydrogen adsorbed in an alternating sequence on the buckled P-dimers. Thus, the microscopic structure of the InP growth plane relevant to standard gas-phase epitaxy conditions is resolved and shown to obey the electron counting rule.

Keywords: Surface Band; Surface Unit Cell; Chemical Beam Epitaxy; Compact Finite Difference Scheme; Surface Brillouin Zone (search for similar items in EconPapers)
Date: 2003
References: Add references at CitEc
Citations:

There are no downloads for this item, see the EconPapers FAQ for hints about obtaining it.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-55876-4_12

Ordering information: This item can be ordered from
http://www.springer.com/9783642558764

DOI: 10.1007/978-3-642-55876-4_12

Access Statistics for this chapter

More chapters in Springer Books from Springer
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().