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Structural and electronic properties of YBa2Cu3O7 under high pressures

Khosroabadi, H ; Sharif University of Technology | 2002

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  1. Type of Document: Article
  2. DOI: 10.1016/S0921-4534(01)00920-0
  3. Publisher: 2002
  4. Abstract:
  5. The structural and electronic properties of YBa2Cu3O7 have been investigated by the total energy-pseudopotential method within the local density approximation. We have calculated the charge density, length of bonds, band structure and density of states for ambient and high pressures, and the change of hole concentration with pressure in this system. Our results show increase of holes in both CuO2 planes and Cu-O chains under high pressures. Bulk modulus and equilibrium volume have also been calculated to be equal 184 GPa and 174.89 Å3, respectively. © 2001 Elsevier Science B.V. All rights reserved
  6. Keywords:
  7. Electronic properties ; High pressure ; Local density approximation
  8. Source: Physica C: Superconductivity and its Applications ; Volume 370, Issue 2 , 2002 , Pages 85-93 ; 09214534 (ISSN)
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S0921453401009200