{
  "id": "1503.03273",
  "version": "v1",
  "published": "2015-03-11T11:11:56.000Z",
  "updated": "2015-03-11T11:11:56.000Z",
  "title": "From atoms to steps: The microscopic origins of crystal evolution",
  "authors": [
    "Paul N. Patrone",
    "T. L. Einstein",
    "Dionisios Margetis"
  ],
  "comment": "7 pages, 6 figures",
  "journal": "Surface Science, Vol. 625 (2014), pp. 37-43",
  "doi": "10.1016/j.susc.2014.02.015",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "The BCF theory of crystal growth has been successful in describing a wide range of phenomena in surface physics. Typical crystal surfaces are slightly misoriented with respect to a facet plane; thus, the BCF theory views such systems as composed of staircase-like structures of steps separating terraces. Adsorbed atoms (adatoms), which are represented by a continuous density, diffuse on terraces, and steps move by absorbing or emitting these adatoms. Here we shed light on the microscopic origins of the BCF theory by deriving a simple, one-dimensional (1D) version of the theory from an atomistic, kinetic restricted solid-on- solid (KRSOS) model without external material deposition. We define the time-dependent adatom density and step position as appropriate ensemble averages in the KRSOS model, thereby exposing the non-equilibrium statistical mechanics origins of the BCF theory. Our analysis reveals that the BCF theory is valid in a low adatom-density regime, much in the same way that an ideal gas approximation applies to dilute gasses. We find conditions under which the surface remains in a low-density regime and discuss the microscopic origin of corrections to the BCF model.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2015-03-11T11:11:56.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "microscopic origin",
      "crystal evolution",
      "ideal gas approximation applies",
      "bcf theory views",
      "low adatom-density regime"
    ],
    "tags": [
      "journal article"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 7,
      "language": "en",
      "license": "arXiv",
      "status": "editable"
    }
  }
}