English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/165416
Share/Impact:
Statistics
logo share SHARE   Add this article to your Mendeley library MendeleyBASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:

Title

Mixed stack charge transfer crystals: Crossing the neutral-ionic borderline by chemical substitution

AuthorsCastagnetti, Nicola; Masino, Matteo; Rizzoli, Corrado; Girlando, Alberto; Rovira, Concepció
KeywordsFerroelectricity
Semiconductors
1-dimensional systems
Charge-transfer insulators
Crystal structures
Organic compounds
Hubbard modelInfrared spectroscopy
Quantum chemistry methods
Raman spectroscopy
Reflectivity
Issue Date15-Feb-2018
PublisherAmerican Physical Society
CitationPhysical Review Materials 2(2): 024602 (2018)
AbstractWe report extensive structural and spectroscopic characterization of four mixed stack chargetransfer (ms-CT) crystals formed by the electron donor 3,3',5,5'-tetramethylbenzidine (TMB) with Chloranil (CA), Bromanil (BA), 2,5-di uoro-tetracyanoquinodimethane (TCNQF2) and tetra uorotetracyanoquinodimethane (TCNQF4). Together with the separately studied TMB-TCNQ [Phys. Rev. B 95, 024101 (2017)] the TMB-acceptor series span a wide range of degree of CT, from about 0.14 to 0.91, crossing the neutral-ionic interface, yet retaining similar packing and donor-acceptor CT integrals. First principle calculations of key phenomenological parameters allows us to get insight into the factors determining the degree of CT and other relevant physical properties.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevMaterials.2.024602
URIhttp://hdl.handle.net/10261/165416
ISSN2475-9953
Appears in Collections:(ICMAB) Artículos
Files in This Item:
File Description SizeFormat 
Catagnetti_PhysRevMat_2018_postprint.pdf1,1 MBAdobe PDFThumbnail
View/Open
Show full item record
Review this work
 


WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.