Stability analysis of special-point ordering in the basal plane of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/

Journal Article · Thu Oct 01 00:00:00 EDT 1987 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.36.5709· OSTI ID:6040966

de Fontaine, D; Wille, L T; Moss, S C

It is shown that the Cu-O basal plane of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ can undergo three types of ordering wave instabilities at the k points <0,0>, <1/2,0> or <1/2,1/2>, depending on the values of the effective pair interactions between filled and empty oxygen sites. The <0,0> instability gives rise to the observed chains of oxygen atoms along either the a or the b axis of the crystals. The <1/2,0> and <1/2,1/2> instabilities produce doubling and quadrupling of the unit cell, respectively. Comparison with experiments suggests the necessity for interactions beyond nearest neighbors.

• Research Organization: Lawrence Berkeley Laboratory and Department of Materials Science 20 Mineral Engineering University of California, Berkeley, California 94720
• OSTI ID: 6040966
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Journal Issue: 10 Vol. 36:10; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360202* -- Ceramics
Cermets
&amp; Refractories-- Structure &amp; Phase Studies
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
BARIUM OXIDES
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
CRYSTAL STRUCTURE
INTERACTIONS
ORDER-DISORDER TRANSFORMATIONS
OXIDES
OXYGEN COMPOUNDS
PAIRING INTERACTIONS
PHASE TRANSFORMATIONS
TRANSITION ELEMENT COMPOUNDS
YTTRIUM COMPOUNDS
YTTRIUM OXIDES