A phenomenological model for the structure-composition relationship of the high Tc cuprates based on simple chemical principles

Alarco, Jose A. & Talbot, Peter C. (2012) A phenomenological model for the structure-composition relationship of the high Tc cuprates based on simple chemical principles. Physica C : Superconductivity, 476, pp. 32-47.

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A simple phenomenological model for the relationship between structure and composition of the high Tc cuprates is presented. The model is based on two simple crystal chemistry principles: unit cell doping and charge balance within unit cells. These principles are inspired by key experimental observations of how the materials accommodate large deviations from stoichiometry. Consistent explanations for significant HTSC properties can be explained without any additional assumptions while retaining valuable insight for geometric interpretation. Combining these two chemical principles with a review of Crystal Field Theory (CFT) or Ligand Field Theory (LFT), it becomes clear that the two oxidation states in the conduction planes (typically d8 and d9) belong to the most strongly divergent d-levels as a function of deformation from regular octahedral coordination. This observation offers a link to a range of coupling effects relating vibrations and spin waves through application of Hund’s rules. An indication of this model’s capacity to predict physical properties for HTSC is provided and will be elaborated in subsequent publications. Simple criteria for the relationship between structure and composition in HTSC systems may guide chemical syntheses within new material systems.

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ID Code: 48524
Item Type: Journal Article
Refereed: Yes
Keywords: Cuprates, Superconductors, Crystal field, Unit cell doping, Superstructure
DOI: 10.1016/j.physc.2012.02.004
ISSN: 0921-4534
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > INORGANIC CHEMISTRY (030200) > Solid State Chemistry (030206)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2012 Elsevier
Copyright Statement: This is the author’s version of a work that was accepted for publication in Physica C : Superconductivity. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Physica C : Superconductivity, [VOL 476, (2012)] DOI: 10.1016/j.physc.2012.02.004
Deposited On: 09 Feb 2012 00:22
Last Modified: 12 Sep 2013 06:46

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