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

Published online by Cambridge University Press:  31 January 2011

Erich Stoll ,
Christian Stern ,
Johannes Singer  and
Peter Stucki
Erich Stoll
Affiliation:
Physik-Institut, Universität Zürich-Irchel, Winterthurerstr. 190, CH-8057 Zürich, Switzerland
Christian Stern
Affiliation:
Institut für Informatik der Universität Zürich, MultiMedia Laboratorium, Winterthurerstr. 190, CH-8057 Zürich, Switzerland
Johannes Singer
Affiliation:
Physik-Institut, Universität Zürich-Irchel, Winterthurerstr. 190, CH-8057 Zürich, Switzerland
Peter Stucki
Affiliation:
Institut für Informatik der Universität Zürich, MultiMedia Laboratorium, Winterthurerstr. 190, CH-8057 Zürich, Switzerland
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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.

Type
Articles
Information
Journal of Materials Research , Volume 12 , Issue 11 , November 1997 , pp. 2901 - 2906
Copyright
Copyright © Materials Research Society 1997

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