Abstract
The atomistic structures of interfaces and their properties are profoundly influenced by the underlying crystallographic symmetries. Whereas the theory of bicrystallography helps in understanding the symmetries of interfaces, an efficient methodology for computing the primitive basis vectors of the two-dimensional lattice of an interface does not exist. In this article, an algorithm for computing the basis vectors for a plane with Miller indices (hkl) in an arbitrary lattice system is presented.
Original language | English (US) |
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Pages (from-to) | 585-588 |
Number of pages | 4 |
Journal | Journal of Applied Crystallography |
Volume | 48 |
DOIs | |
State | Published - Apr 1 2015 |
Keywords
- basis vectors
- bicrystallography
- diophantine equation
- grain boundaries
- interfaces
- primitive unit cell
ASJC Scopus subject areas
- General Biochemistry, Genetics and Molecular Biology