Hydrogen on semiconductor surfaces: Theory of the electronic structure

✍ Scribed by C.M. Bertoni; F. Finocchi; F. Bernardini; M.Buongiorno Nardelli

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 480 KB
• Volume: 170
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/0921-4526(91)90157-a

✦ Synopsis

The atomic geometry and the electronic structure of GaAs(l 1 0) and Si(1 I I) with full coverage of chemisorbed hydrogen is described in the scheme of the density functional theory and using norm-conserving pseudopotentials, as ideal prototypes of semiconductor surfaces interacting with hydrogen. The removal of relaxation or reconstruction, the bond geometry and the stretching frequencies can be described in a full ab initio approach.