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Doping high Tc superconductors with oxygen and metallic atoms: a molecular dynamics study


Stoll, Erich; Stern, Christian; Singer, Johannes; Stucki, Peter (1997). Doping high Tc superconductors with oxygen and metallic atoms: a molecular dynamics study. Journal of Materials Research, 12(11):2901-2906.

Abstract

Using classical molecular dynamics based on Lennard-Jones-like potentials, a mechanically stable YBa2Cu3O7 high Tc superconductor structure is generated. This process is controlled via interactive computer graphics. After doping atoms into or removing atoms from the sample using a recently implemented picking mechanism, the lattice oscillation energy is annihilated with a simulated annealing procedure. The remaining minimum ground state energy allows marking of the preferred doping location. Information on the doping mechanism is important because the magnetic and superconducting properties of these compounds depend very strongly on their oxygen content

Abstract

Using classical molecular dynamics based on Lennard-Jones-like potentials, a mechanically stable YBa2Cu3O7 high Tc superconductor structure is generated. This process is controlled via interactive computer graphics. After doping atoms into or removing atoms from the sample using a recently implemented picking mechanism, the lattice oscillation energy is annihilated with a simulated annealing procedure. The remaining minimum ground state energy allows marking of the preferred doping location. Information on the doping mechanism is important because the magnetic and superconducting properties of these compounds depend very strongly on their oxygen content

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Additional indexing

Item Type:Journal Article, not_refereed, original work
Communities & Collections:National licences > 142-005
Dewey Decimal Classification:Unspecified
Scopus Subject Areas:Physical Sciences > General Materials Science
Physical Sciences > Condensed Matter Physics
Physical Sciences > Mechanics of Materials
Physical Sciences > Mechanical Engineering
Language:English
Date:1 November 1997
Deposited On:25 Oct 2018 17:06
Last Modified:15 Apr 2021 14:49
Publisher:Cambridge University Press
ISSN:0884-2914
OA Status:Green
Publisher DOI:https://doi.org/10.1557/jmr.1997.0384

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