English

Local minimum in effective pairpotentials: Pseudopotential theory revisited

Materials Science 2017-10-24 v1

Abstract

Local minimum appearing in the interionic pair interactions, when derived from local model pseudopotential, for Al (and some other polyvalent metals) remains as a long standing problem of clear understanding although some attempts are made by different authors. The origin of this feature of local minimum is systematically investigated in this article, considering both the chemical valence, Z, and the core radius, RcR_{c} as variables. Ashcroft's empty core model is used to describe the interionic pair-potential, because, it depends on these two parameters only. Results of this investigation show that monovalent metals do not exhibit a local minimum at small rr but some polyvalent metals does where, the core radius plays the major role.

Cite

@article{arxiv.1710.07931,
  title  = {Local minimum in effective pairpotentials: Pseudopotential theory revisited},
  author = {G M Bhuiyan and Fysol Ibna Abbas},
  journal= {arXiv preprint arXiv:1710.07931},
  year   = {2017}
}

Comments

six pages, five figures

R2 v1 2026-06-22T22:21:48.491Z