A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2019; you can also visit the original URL.
The file type is
Generating derivative structures from multilattices: Algorithm and application to hcp alloys
Physical Review B
We present an algorithm for generating all derivative superstructures of a nonprimitive parent lattice. The algorithm has immediate application in important materials design problems such as modeling hexagonalclose-packed ͑hcp͒ alloys. Extending the work of Hart and Forcade ͓Phys. Rev. B 77, 224115 ͑2008͔͒ ͑which applies only to Bravais lattices͒, this approach applies to arbitrary multilattices. The algorithm enumerates superlattices and atomic configurations using permutation groups ratherdoi:10.1103/physrevb.80.014120 fatcat:avj6tlkhfzfbfodwe43uukgaja