Charge Transfer Variability in Misfit Layer Compounds: Comparison of SnS-SnS2 and LaS-TaS2

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

Abstract

The present paper compares and discusses two selected misfit (layer) compounds exemplarily, namely SnS-SnS2 and LaS-TaS2. We have employed a density-functional theory-based approach to calculate structural, energetic, and electronic properties of these structures. We have put emphasis on the difference between single layers, combined double-layer systems and periodically stacked bulk structures. Especially the varying magnitudes of charge transfer between the sublayers were studied. We demonstrate how the chemical constitution of the sublayers affects the interlayer interactions: these may be a weak non-bonding van-der-Waals dominated interlayer interaction as in SnS-SnS2 and many other layered structures or a strong interaction related to a remarkable charge transfer between the layers as in LaS-TaS2.

Details

Original languageEnglish
Pages (from-to)553-559
Number of pages7
JournalIsrael Journal of Chemistry
Volume57
Issue number6
Publication statusPublished - 1 Jun 2017
Peer-reviewedYes

External IDs

Scopus 85011571477

Keywords

ASJC Scopus subject areas

Keywords

  • charge transfer, lanthanum sulfide, misfit compounds, tantalum sulfide, tin sulfide