中国物理B ›› 1997, Vol. 6 ›› Issue (1): 40-51.doi: 10.1088/1004-423X/6/1/008

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ELECTRONIC STRUCTURE OF Hg0.8Pb0.2Ba2Ca2Cu3O8+δ: THE ROLE OF Pb DOPING, OXYGEN DOPING AND HIGH PRESSURE

吕劲, 章立源, 郝学军   

  1. Department of Physics, Peking University, Beijing 100871, China
  • 收稿日期:1995-10-27 出版日期:1997-01-20 发布日期:1997-01-20
  • 基金资助:
    Project supported by the National Education Foundation of China for Ph. D., the Computer Center of Peking University and the Beijing Institute of Modern Physics (BIMP) Computing Center of Peking University.

ELECTRONIC STRUCTURE OF Hg0.8Pb0.2Ba2Ca2Cu3O8+$\delta$: THE ROLE OF Pb DOPING, OXYGEN DOPING AND HIGH PRESSURE

Lü JING (吕劲), ZHANG LI-YUAN (章立源), HAO XUE-JUN (郝学军)   

  1. Department of Physics, Peking University, Beijing 100871, China
  • Received:1995-10-27 Online:1997-01-20 Published:1997-01-20
  • Supported by:
    Project supported by the National Education Foundation of China for Ph. D., the Computer Center of Peking University and the Beijing Institute of Modern Physics (BIMP) Computing Center of Peking University.

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摘要： The effects of Pb doping, oxygen doping ($\delta$= 0.1,0.2,0.4 and 0.5) and high pressate (4, 8, 15 and 20GPa) on the electronic structure of Hg0.8Pb0.2Ba2Ca2Cu3O8+δ have been examined by the recursion method. Our calculations show that Pb doping only decreases the hole concentration slightly and oxygen doping increases the hole concentration monotonically and significantly as δ varies from 0 to 0.5, with each excess oxygen atom contributing about 1.7 holes to the CuO2 layers. The optimal δ is estimated to be around 0.4, The hole conceatration increases initially with pres-sure but decreases as P > 8GPa (i.e., dn/dP does change sign at ～ 8GPa). The suppressed Tc(P) by Pb substitution has to be described in the modified Neumeier's model.

Abstract: The effects of Pb doping, oxygen doping ($\delta$= 0.1,0.2,0.4 and 0.5) and high pressate (4, 8, 15 and 20GPa) on the electronic structure of Hg0.8Pb0.2Ba2Ca2Cu3O8+$\delta$ have been examined by the recursion method. Our calculations show that Pb doping only decreases the hole concentration slightly and oxygen doping increases the hole concentration monotonically and significantly as $\delta$ varies from 0 to 0.5, with each excess oxygen atom contributing about 1.7 holes to the CuO2 layers. The optimal $\delta$ is estimated to be around 0.4, The hole conceatration increases initially with pres-sure but decreases as P > 8GPa (i.e., dn/dP does change sign at ～ 8GPa). The suppressed Tc(P) by Pb substitution has to be described in the modified Neumeier's model.

中图分类号:  (Electronic structure (photoemission, etc.))

  • 74.25.Jb
61.72.up (Other materials) 62.50.-p (High-pressure effects in solids and liquids)