Effect of High Pressure on Electronic Structure of Super conducting La1.85Sr0.15CuO4
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摘要: 采用Recursion方法计算了常压和1 GPa、4 GPa、8 GPa高压下La1.85Sr0.15CuO4的电子结构,给出了费米能、费米能处态密度以及各晶位原子价的定量变化。结果表明:高压下Tc的变化可能源于CuO2面上氧空穴和铜空穴数目的改变,且氧空穴数目的增加有利于超导性。Abstract: The electronic structure of La1.85Sr0.15CuO4 under atmosphere, 1 GPa, 4 GPa, 8 GPa has been calculated by the Recursion method. The changes of Fermi energy, total density dstates at EF, atomic valence at each site are given. Our results show that the change of Tc under high pressure is not due to the change of EF or N(EF), but may be caused by the variation of hole number of Cu and O2 on the CuO2 plane. The rise Of O2 p holes is favorable for superconductivity in this system.
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Key words:
- electronic density of states /
- band width /
- Fermi surface /
- atomic valence /
- hole concentration
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