State of the art simulations in electronic structure and total energy for the high temperature superconductor YBa2Cu3O7

Sharp electronic structure and anomalous isotope effect in Zr, Nb3 Sn, and YBa2 Cu3 O7

“…The sharp feature in the electron DOS in YBa 2 Cu 3 O 7 is mainly attributed to Cu(d) and O(p) states. These results agree with those of previous first‐principles calculations, using projector augmented wave method (VASP) , full‐potential linearized augmented plane wave (FP‐LAPW) method , OLCAO method , and CASTEP code . As discussed by Yu and Freeman , there is a remarkable agreement between the high‐resolution ARPES measurements and theoretical predictions on the electronic structure of YBa 2 Cu 3 O 7 .…”

Oxygen transport in perovskite and related oxides: A brief review

“…YBa 2 Cu 3 O 7−x and its rare-earth analogues have been and are extensively investigated [57][58][59]2,60,61,5,[62][63][64][65][66][67]. YBa 2 Cu 3 O 7−ı and related cuprate superconductors can be effectively viewed as a combination of rocksalt and perovskite units [68].…”

Transport anisotropy and pseudo-gap state in oxygen deficient ReBa2Cu3O7−δ (Re=Y, Ho) single crystals

“…Ever since their discovery about two decades ago cuprate high-temperature superconductors [1] are under intensive experimental (for example [2,3]) and theoretical studies (for example [4] and references within). It is well known that the layered structure is a characteristic property of the high-temperature superconducting compounds (HTSC) [5][6][7].…”