@inbook{d2a280e7ba8a48f9bd039064931d7555,
title = "Ab initio molecular-dynamics simulations of doped phase-change materials",
abstract = "The physical behaviour and device performance of phase-change, non-volatile memory materials can often be improved by the incorporation of small amounts of dopant atoms. In certain cases, new functionality can also be introduced, for example a contrast in magnetic properties between amorphous and crystalline phases of the host phase-change material when certain transition-metal dopants are included. This Chapter reviews some of the experimental data relating to doped phase-change materials and, in particular, a survey is given of the role played by molecular-dynamics simulations in understanding the atomistic mechanisms involved in the doping process. In addition, some examples are given of the in silico discovery of new phase-change compositions resulting from ab initio molecular-dynamics (AIMD) simulations.",
author = "Skelton, {J. M.} and Lee, {T. H.} and Elliott, {S. R.}",
year = "2015",
month = apr,
day = "23",
doi = "10.1007/978-3-319-15675-0_16",
language = "English",
isbn = "9783319156743",
volume = "215",
series = "Springer Series in Materials Science",
pages = "441--456",
editor = "Massobrio, {Carlo } and Jincheng Du and Bernasconi, {Marco } and Salmon, {Philip S.}",
booktitle = "Molecular Dynamics Simulations of Disordered Materials",
}