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Title: Importance of C-H-donor and C-H-anion contact interactions for the crystal packing, the lattice softness and the superconducting transition temperatures of organic conducting salts

Abstract

The organic donor molecule BEDT-TTF and its analogs 2--4 have yielded a number of ambient-pressure superconducting salts. What structural and electronic factors govern the magnitudes of their superconducting transition temperature {Tc} has been a topic of intense studies. Examination of the band electronic structures of closely related superconducting salts shows, that the magnitudes of their {Tc}'s are primarily determined by the softness of their crystal lattices. The crystal packing and the lattice softness of organic donor salts are strongly influenced by the donor{hor ellipsis}donor and donor{hor ellipsis}anion contact interactions involving the donor-molecule C-H bonds. In the present work, we briefly review the electronic structures of some representative organic salt superconductors and discuss the softness of their crytsal lattices on the basis of the interaction energies calculated for the C-H{hor ellipsis}donor and C-H{hor ellipsis}anion contact interactions. 34 refs., 14 figs., 8 tabs.

Authors:
; ;  [1]; ; ; ; ; ;  [2]
  1. North Carolina State Univ., Raleigh, NC (USA). Dept. of Chemistry
  2. Argonne National Lab., IL (USA)
Publication Date:
Research Org.:
Argonne National Lab., IL (USA); North Carolina State Univ., Raleigh, NC (USA). Dept. of Chemistry
Sponsoring Org.:
DOE/ER; MES; NATO
OSTI Identifier:
6442633
Report Number(s):
CONF-900528-4
ON: DE91004406
DOE Contract Number:  
W-31109-ENG-38; FG05-86ER45259
Resource Type:
Conference
Resource Relation:
Conference: International conference on organic superconductors, Lake Tahoe, CA (USA), 20-24 May 1990
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; HIGH-TC SUPERCONDUCTORS; CRYSTAL LATTICES; ELECTRONIC STRUCTURE; BCS THEORY; CHALCOGENIDES; CRYSTAL STRUCTURE; DISPERSION RELATIONS; ELECTRON-PHONON COUPLING; FERMI LEVEL; ISOTOPE EFFECTS; ORGANIC COMPOUNDS; PHASE TRANSFORMATIONS; SUPERCONDUCTIVITY; TRANSITION TEMPERATURE; ELECTRIC CONDUCTIVITY; ELECTRICAL PROPERTIES; ENERGY LEVELS; PHYSICAL PROPERTIES; SUPERCONDUCTORS; THERMODYNAMIC PROPERTIES; 360603* - Materials- Properties; 400201 - Chemical & Physicochemical Properties; 656100 - Condensed Matter Physics- Superconductivity

Citation Formats

Whangbo, M -H, Novoa, J J, Jung, D, Williams, J M, Kinj, A M, Wang, H H, Geiser, U, Beno, M A, and Carlson, K D. Importance of C-H-donor and C-H-anion contact interactions for the crystal packing, the lattice softness and the superconducting transition temperatures of organic conducting salts. United States: N. p., 1990. Web.
Whangbo, M -H, Novoa, J J, Jung, D, Williams, J M, Kinj, A M, Wang, H H, Geiser, U, Beno, M A, & Carlson, K D. Importance of C-H-donor and C-H-anion contact interactions for the crystal packing, the lattice softness and the superconducting transition temperatures of organic conducting salts. United States.
Whangbo, M -H, Novoa, J J, Jung, D, Williams, J M, Kinj, A M, Wang, H H, Geiser, U, Beno, M A, and Carlson, K D. Mon . "Importance of C-H-donor and C-H-anion contact interactions for the crystal packing, the lattice softness and the superconducting transition temperatures of organic conducting salts". United States. https://www.osti.gov/servlets/purl/6442633.
@article{osti_6442633,
title = {Importance of C-H-donor and C-H-anion contact interactions for the crystal packing, the lattice softness and the superconducting transition temperatures of organic conducting salts},
author = {Whangbo, M -H and Novoa, J J and Jung, D and Williams, J M and Kinj, A M and Wang, H H and Geiser, U and Beno, M A and Carlson, K D},
abstractNote = {The organic donor molecule BEDT-TTF and its analogs 2--4 have yielded a number of ambient-pressure superconducting salts. What structural and electronic factors govern the magnitudes of their superconducting transition temperature {Tc} has been a topic of intense studies. Examination of the band electronic structures of closely related superconducting salts shows, that the magnitudes of their {Tc}'s are primarily determined by the softness of their crystal lattices. The crystal packing and the lattice softness of organic donor salts are strongly influenced by the donor{hor ellipsis}donor and donor{hor ellipsis}anion contact interactions involving the donor-molecule C-H bonds. In the present work, we briefly review the electronic structures of some representative organic salt superconductors and discuss the softness of their crytsal lattices on the basis of the interaction energies calculated for the C-H{hor ellipsis}donor and C-H{hor ellipsis}anion contact interactions. 34 refs., 14 figs., 8 tabs.},
doi = {},
url = {https://www.osti.gov/biblio/6442633}, journal = {},
number = ,
volume = ,
place = {United States},
year = {1990},
month = {1}
}

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