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|Title: ||Lattice Relax, Charge Transfer, and Madelung Potential Energy in YBCO Systems|
|Authors: ||Horng, Lance;Yang, T. J. Watson|
|Issue Date: ||2013-02-05T02:17:01Z
|Publisher: ||THE PHYSICAL SOCIETY|
OF THE REPUBLIC OF CHINA
|Abstract: ||We have calculated Madelung potential energies by Ewald�s method in|
YBa2Cus-zMz07-a system (M = Ni, Zn, Co, Fe, etc.). The Madelung potential energy,
long-range Coulomb interaction, is expected to give a major contribution in these
partially ionic copper-oxide superconductors. Concerning site preference of dopant ions,
the results from the calculated Madelung energies can not only interpret the site preference
of dopant ions substituting for copper sites, which are in accordance with most
experimental results, but also illustrate strbngly that the holes transfer from sheets to
chains on substitution. The apical oxygen is a balancing bridge of charge-transfer, and
leads to lattice variation of Cu-0 bond length which is due to long-range Coulomb force.
These suggest that this kind of charge-transfer channel is one of important factors to
affect Tc values.
|Relation: ||CHINESE JOURNAL OF PHYSICS, 31(6-II): 1181-1185|
|Appears in Collections:||[物理學系] 期刊論文|
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