An efficient algorithm for computing the primitive bases of a general lattice plane

Arash D. Banadaki, Srikanth Patala*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

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 languageEnglish (US)
Pages (from-to)585-588
Number of pages4
JournalJournal of Applied Crystallography
Volume48
DOIs
StatePublished - 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

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