MONTE-CARLO STUDY OF OXYGEN-VACANCY ORDERING IN YBA2CU3-XMXO6+2C (M = CO,FE,AL,GA)

被引：18

作者：

SALOMONS, E ^{[1
]}

DEFONTAINE, D ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720

来源：

PHYSICAL REVIEW B | 1990年 / 42卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.42.10152

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The effect of impurities at the Cu(1) site in the basal plane of the high-temperature superconductor YBa2Cu3O6+2c on the oxygen-vacancy phase diagram is investigated by Monte Carlo simulation of an asymmetric next-nearest- neighbor lattice-gas model, in which the impurities are assumed to act as traps for oxygen atoms. First the phase diagram of YBa2Cu3O6+2c is determined, which shows the high-temperature orthorhombic and tetragonal phases, as well as the low-temperature double-cell orthorhombic and antiorthorhombic phases. Next the high-temperature orthorhombic-to-tetragonal transition of YBa2Cu3-xMxO6+2c is studied within a single orthorhombic domain. This orthorhombic-to-tetragonal transition is a true phase transition, with a peak in the specific heat, in contrast with the orthorhombic-to-pseudotetragonal transition studied in previous theoretical studies. The orthorhombic-to-tetragonal phase boundary is found to shift to higher oxygen concentrations with increasing impurity concentration. A first-order approximation for the shift of the phase boundary is derived, which agrees with the Monte Carlo results. © 1990 The American Physical Society.

引用

页码：10152 / 10158

页数：7

共 24 条

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