Electronic properties and vibrational spectra of (NH
Band gaps
Density functional theory
Electronic band structure
FTIR spectroscopy
Raman spectroscopy
Tutton's salt
Journal
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Titre abrégé: Spectrochim Acta A Mol Biomol Spectrosc
Pays: England
ID NLM: 9602533
Informations de publication
Date de publication:
05 Jul 2019
05 Jul 2019
Historique:
received:
09
01
2019
revised:
12
04
2019
accepted:
14
04
2019
pubmed:
22
4
2019
medline:
22
4
2019
entrez:
22
4
2019
Statut:
ppublish
Résumé
The complex crystals of the family of the Tutton's salt have been investigated through the numerous experimental and theoretical studies to understand their physical properties and their potential technological applications. In spite of the more than 60 years of research, there are very few studies about the electronic properties of Tutton's salt. In our present work, we have calculated the stability, electronic properties and the first theoretical study of band structure of the three different crystals of the Tutton's salt, ammonium nickel sulfate hexahydrate ((NH
Identifiants
pubmed: 31005735
pii: S1386-1425(19)30398-1
doi: 10.1016/j.saa.2019.04.023
pii:
doi:
Types de publication
Journal Article
Langues
eng
Pagination
281-292Informations de copyright
Copyright © 2019 Elsevier B.V. All rights reserved.