Premium
An efficient algorithm for computing the primitive bases of a general lattice plane
Author(s) -
Banadaki Arash D.,
Patala Srikanth
Publication year - 2015
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576715004446
Subject(s) - homogeneous space , lattice (music) , basis (linear algebra) , lattice plane , computer science , interface (matter) , algorithm , plane (geometry) , mathematics , physics , geometry , reciprocal lattice , parallel computing , quantum mechanics , diffraction , bubble , maximum bubble pressure method , acoustics
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. This technique is expected to become a routine tool for both computational and experimental analysis of interface structures.