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CHANGE OF ELECTRONIC STRUCTURES CAUSED BY LOCAL SUBSTITUTION OF Zn FOR Cu IN YBa2Cu3O7 MATERIAL

WANG CHENG-ZHANG WANG HUAI-YU ZHANG LI-YUAN

CHANGE OF ELECTRONIC STRUCTURES CAUSED BY LOCAL SUBSTITUTION OF Zn FOR Cu IN YBa2Cu3O7 MATERIAL

WANG CHENG-ZHANG, WANG HUAI-YU, ZHANG LI-YUAN
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  • Using Recursion method, we have studied the change of electronic structures caused by local substitution of Zn for Cu(2) in YBa2Cu3O7 material. It is found that the substitution has important effect on the properties of the substituted site and its neighbours, which include the partial wave densities of states, the type and strength of bonds, and the atomic valence of sites. On the basis of calculations, we analyze the mo ement of charge and believe that the decrease of hole concentration in CuO2 layers is the dominant factor in lowering the superconducting transition temperature of YBa2Cu3O7 when Zn substitutes Cu in small amounts.
  • [1] Lan Kang, Du Qian, Kang Li-Sha, Jiang Lu-Jing, Lin Zhen-Yu, Zhang Yan-Hui. The electron transfer properties of an open double quantum dot based on a quantum point contact. Acta Physica Sinica, 2020, 69(4): 1-11. doi: 10.7498/aps.69.20191718
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  • Received Date:  25 December 1990
  • Published Online:  28 June 2005

CHANGE OF ELECTRONIC STRUCTURES CAUSED BY LOCAL SUBSTITUTION OF Zn FOR Cu IN YBa2Cu3O7 MATERIAL

  • 1. 北京大学物理系,北京,100871

Abstract: Using Recursion method, we have studied the change of electronic structures caused by local substitution of Zn for Cu(2) in YBa2Cu3O7 material. It is found that the substitution has important effect on the properties of the substituted site and its neighbours, which include the partial wave densities of states, the type and strength of bonds, and the atomic valence of sites. On the basis of calculations, we analyze the mo ement of charge and believe that the decrease of hole concentration in CuO2 layers is the dominant factor in lowering the superconducting transition temperature of YBa2Cu3O7 when Zn substitutes Cu in small amounts.

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