Dissemin is shutting down on January 1st, 2025

Published in

Elsevier, Chemical Physics Letters, 4-6(512), p. 208-210, 2011

DOI: 10.1016/j.cplett.2011.07.028

Links

Tools

Export citation

Search in Google Scholar

Monoclinic and orthorhombic cysteine crystals are small gap insulators

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

Full text: Download

Green circle
Preprint: archiving allowed
Orange circle
Postprint: archiving restricted
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

The electronic band structure of both the monoclinic and orthorhombic cysteine polymorphs is investigated using density functional theory (DFT) calculations in the generalized gradient approximation (GGA). Besides, orthorhombic cysteine crystals were grown, and their optical absorption was measured, being estimated an energy gap of Egexp=4.68eV for recrystallized cysteine powder. The existence of a small secondary optical absorption structure for the recrystallized sample around 4.4eV suggests the existence of defect levels inside the band gap. The calculated valence and conduction bands are very flat for both cysteine polymorphs, suggesting that they are insulators.