English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/208157
Share/Impact:
Statistics
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:

Title

Addendum: Anomalous mechanical behavior of the deltic, squaric and croconic cyclic oxocarbon acids

AuthorsColmenero, Francisco
KeywordsCroconic acid
Negative linear compressibility
DFT
Issue Date1-Jun-2019
PublisherIOP Publishing
CitationMaterials Research Express 6: 069401 (2019)
AbstractThe mechanical properties of the deltic, squaric, and croconic acids were determined in a previous work by using rigorous theoretical solid-state methods based in Density Functional Theory using plane waves and pseudopotentials using a high-quality setup. These three materials were shown to display small negative Poisson ratios (NPR). Croconic acid was also shown to exhibit the phenomenon of negative linear compressibility (NLC) for applied pressures larger than ∼0.4 GPa directed along the direction of minimum Poisson ratio. The main purpose of this communication is to show that the croconic acid also exhibits the NLC phenomenon when submitted to isotropic pressures. The a lattice parameter of croconic acid increases for applied isotropic pressures in the range from 0.41 GPa to 0.46 GPa. The computed compressibility along a direction at the pressure of P = 0.44 GPa is k = -79.7 TPa .
Description4 pags., 1 fig. 1 tab.
Publisher version (URL)http://dx.doi.org/10.1088/2053-1591/ab0cc5
URIhttp://hdl.handle.net/10261/208157
Identifiersdoi: 10.1088/2053-1591/ab0cc5
issn: 2053-1591
Appears in Collections:(CFMAC-IEM) Artículos
Files in This Item:
File Description SizeFormat 
Colmenero_oxo_mech_addendum_Manuscript_2018_mrx_revised.pdf Embargoed until June 1, 2020258,56 kBAdobe PDFThumbnail
View/Open    Request a copy
Show full item record
Review this work
 

Related articles:


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