We perform first-principles total-energy and electronic structure calculations in order to determine the atomic structure of the P-rich (2 X 1)/(2 X 2) reconstruction commonly observed for GaP(001) surfaces grown by gas-phase epitaxy. A monolayer of buckled phosphorus dimers stabilized by hydrogen adsorbed in an alternating sequence is found to be energetically stable and to be consistent with the experimental data.

Hahn, P., Schmidt, W., Bechstedt, F., Pulci, O., & Del Sole, R. (2003). P-rich GaP(001) (2x1)/(2x2) surface: A hydrogen-adsorbate structure determined from first-principles calculations. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 68(3) [10.1103/PhysRevB.68.033311].

P-rich GaP(001) (2x1)/(2x2) surface: A hydrogen-adsorbate structure determined from first-principles calculations

PULCI, OLIVIA;DEL SOLE, RODOLFO
2003

Abstract

We perform first-principles total-energy and electronic structure calculations in order to determine the atomic structure of the P-rich (2 X 1)/(2 X 2) reconstruction commonly observed for GaP(001) surfaces grown by gas-phase epitaxy. A monolayer of buckled phosphorus dimers stabilized by hydrogen adsorbed in an alternating sequence is found to be energetically stable and to be consistent with the experimental data.
Pubblicato
Rilevanza internazionale
Articolo
Esperti anonimi
Settore FIS/03 - Fisica della Materia
English
Hahn, P., Schmidt, W., Bechstedt, F., Pulci, O., & Del Sole, R. (2003). P-rich GaP(001) (2x1)/(2x2) surface: A hydrogen-adsorbate structure determined from first-principles calculations. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 68(3) [10.1103/PhysRevB.68.033311].
Hahn, P; Schmidt, W; Bechstedt, F; Pulci, O; DEL SOLE, R
Articolo su rivista
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2108/104700
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus ND
  • ???jsp.display-item.citation.isi??? ND
social impact