Electron-positron momentum density in Tl2Ba2CuO6

✍ Scribed by B. Barbiellini; M. Gauthier; L. Hoffmann; T. Jarlborg; A.A. Manuel; S. Massidda; M. Peter; G. Triscone

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 994 KB
• Volume: 229
• Category: Article
• ISSN: 0921-4534
• DOI: 10.1016/0921-4534(94)90819-2

✦ Synopsis

We present calculations of the electron-positron momentum density for the high-Tc superconductor TI2Ba2CuO6, together with some preliminary two-dimensional angular correlation of the annihilation radiation (2D-ACAR) measurements. The calculations are based on the first-principles electronic structure obtained using the full-potential linearized augmented plane wave (FLAPW) and the linear muffin-tin orbital (LMTO) methods. We also use a linear combination of the atomic orbitalsmolecular orbital method (LCAO-MO) to discuss orbital contributions to the anisotropies. Some agreement between calculated and measured 2D-ACAR anisotropies encourage sample improvement for further Fermi surface investigations. Indeed, our results indicate a non-negligible overlap of the positron wave function with the CuO 2 plane electrons. Therefore, this compound may be well suited for investigating the relevant CuO2 Fermi surface by 2D-ACAR.