Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5368374 | Applied Surface Science | 2007 | 4 Pages |
Abstract
We study interfaces between highly ionic crystals with different crystal structure by first-principles total-energy calculations in the repeated-slab approximation and compare the results with experimental data extracted from high-resolution transmission electron micrographs. The non-polar (1Â 1Â 0) interface between PbTe (rocksalt) and CdTe (zinc-blende) crystals gives rise to a lateral spatial offset between the two crystal halves. At the polar (1Â 0Â 0) interfaces a strong variation of the interface extent with respect to the cation or anion termination is observed. Furthermore, we calculate band offsets and projected interface band-structures for PbTe/CdTe interfaces. The results are discussed versus the interface orientation.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
R. Leitsmann, F. Bechstedt, H. Groiss, F. Schäffler, W. Heiss, K. Koike, H. Harada, M. Yano,