Please use this identifier to cite or link to this item:
https://scholarbank.nus.edu.sg/handle/10635/98312
Title: | The relaxation of the H-terminated diamond (C), Si and Ge (1 1 1) surfaces | Authors: | Ong, C.K. | Issue Date: | Apr-1989 | Citation: | Ong, C.K. (1989-04). The relaxation of the H-terminated diamond (C), Si and Ge (1 1 1) surfaces. Solid State Communications 70 (2) : 225-227. ScholarBank@NUS Repository. | Abstract: | The relaxation of the H-terminated diamond (C), Si and Ge (1 1 1) surfaces are investigated using the complete neglect of differential overlap (CNDO) method. It is found that there is no relaxation in diamond surfaces. However, for Si (1 1 1) surfaces, the calculation shows that there is a 3.6% contraction of the 1st layer and 2.6% expansion of the 2nd layer; for Ge (1 1 1), the 1st layer contracted substantially. We conclude that the redistribution of the charge density from atomic S-orbitals to P-orbitals is the main mechanism for the strengthening and shortening of the Ge-Ge back bond. © 1989. | Source Title: | Solid State Communications | URI: | http://scholarbank.nus.edu.sg/handle/10635/98312 | ISSN: | 00381098 |
Appears in Collections: | Staff Publications |
Show full item record
Files in This Item:
There are no files associated with this item.
Google ScholarTM
Check
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.