Madelung Potentials in YBa_2Cu_3O_x (x=7 and 8)

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概要

• 論文の詳細を見る

• Calculations of Madelung potentials of ions in YBa_2Cu_3O_8 reveal that the oxygen ions which are found experimentally to have small occupation factors are quite unstable. The most stable ionic configuration of YBa_2Cu_3O_7, which contains a Cu^<3+>, two Cu^<2+> ions and an oxygen vacancy per "molecule" in the structure of YBa_2Cu_3O_8, has been obtained by calculating the Madelung energies per YBa_2Cu_3O_7 molecule for several ionic positions. These calculations determine the most stable Cu^<3+> position and also show that the unstable oxygen ions in YBa_2Cu_3O_8 become remarkably stabilized in YBa_2Cu_3O_7.

• 社団法人応用物理学会の論文
• 1987-09-20

著者

• Iguchi Eisuke

  Department Of Mechanical Engineering And Materials Science Faculty Of Engineering Yokohama National

• YONEZAWA Yoshiyuki

  Department of Mechanical Engineering and Materials Science, Faculty of Engineering, Yokohama Nationa

• Yonezawa Y

  Ishinomaki Senshu Univ. Miyagi Jpn

関連論文

• Diffusion of Oxygen Vacancies in Reduced Rutile (TiO_2)
• Madelung Potentials in YBa_2Cu_3O_x (x=7 and 8)

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