Physics
Document Type
Article
Abstract
We present a prototype database for quasi two-dimensional crystalline organic conductors and superconductors based on molecules related to bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF, ET). The database includes crystal structures, calculated electronic structures, and experimentally measured properties such as the superconducting transition temperature and critical magnetic fields. We obtained crystal structures from the Cambridge Structural Database and created a crystal structure analysis algorithm to identify cation molecules and execute tight binding electronic structure calculations. We used manual data entry to encode experimentally measured properties reported in publications. Crystalline organic conductors and superconductors exhibit a wide variety of electronic ground states, particularly those with correlations. We hope that this database will ultimately lead to a better understanding of the fundamental mechanisms of such states.
Publication Title
Crystals
Publication Date
7-2022
Volume
12
Issue
7
ISSN
2073-4352
DOI
10.3390/cryst12070919
Keywords
charge density wave, data science, FFLO state, materials database, organic superconductor, spin density wave, spin liquid, superconductivity
Repository Citation
Ganter, Owen; Feeny, Kevin; Brooke-Debock, Morgan; Winter, Stephen M.; and Agosta, Charles C., "A Database for Crystalline Organic Conductors and Superconductors" (2022). Physics. 18.
https://commons.clarku.edu/faculty_physics/18
Cross Post Location
Student Publications
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 International License.
Copyright Conditions
Ganter, O., Feeny, K., Brooke-deBock, M., Winter, S. M., & Agosta, C. C. (2022). A database for crystalline organic conductors and superconductors. Crystals, 12(7), 919.
