Electronic band structure of SnSe

Roberto Car, G. Ciucci, L. Quartapelle

Research output: Contribution to journalArticle

43 Scopus citations

Abstract

The electronic bands of SnSe are calculated along all high symmetry lines of the Brillouin zone using the local empirical pseudopotential method. Spectralization of the involved large matrices is performed by means of a new approximate folding‐down method which locates the s‐states of valence bands much better than the Löwdin‐Brust perturbative technique. The parameters of the analytical form used to interpolate the pseudopotentials are roughly adjusted to obtain a band structure consistent with optical and photoelectric data. Satisfactory results for the general features are obtained, a better agreement requiring a more cautious tuning of pseudopotential values in the region of small wave vectors.

Original languageEnglish (US)
Pages (from-to)471-478
Number of pages8
Journalphysica status solidi (b)
Volume86
Issue number2
DOIs
StatePublished - Jan 1 1978

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Electronic band structure of SnSe'. Together they form a unique fingerprint.

Cite this