掺氟对Y-Ba-Cu-O高温超导体电子结构的影响  

INFLUENCES OF FLUORINE DOPING TO THE ELECTRONIC STRUCTURE OF THE Y-Ba-Cu-O SUPERCONDUCTORS

作　　者：王新华[1] 王玲玲[1] 王怀玉[2] 邓辉球[1] 黄维清 

机构地区：[1]湖南大学应用物理系 [2]清华大学物理系,北京100086

出　　处：《金属学报》2004年第12期1243-1247,共5页Acta Metallurgica Sinica

基　　金：湖南省自然科学基金资助项目03JJY3011

摘　　要：采用Recursion方法计算了不同掺氟量和不同替代位置下Y-Ba-Cu-O的电子结构,从掺氟Y-Ba-Cu-O各晶位的态密度(DOS),可进一步得到Fermi能EF、Fermi能级处的态密度N(EF)以及各晶位原子价等重要数据.各模型的计算结果表明,掺入氟后引起CuO2平面上Cu的原子价升高和O的价位变得更负,使Cu位空穴数目增加和O位空穴数目减少,且以后者的变化为主.掺氟改变了Y-Ba-Cu-O中CuO2平面上载流子的浓度,影响了电荷从CuO2平面向CuO链的转移,增加了Fermi面电子浓度,这可能是对高温氧化物超导电性产生影响的原因.The electronic structures of fluorine-doped Y-Ba-Cu-O superconductors are calculated with Recursion method. The electronic density of states (DOS), Fermi energy (E-F), atomic valences of different elements are obtained. The results show that the valences of Cu atom increase and those of O atom decrease, which means that the amount of hole carrier of Cu increases and that of O decreases. Fluorine-doping changes hole carrier concentration in the CuO2 plane, and thus improves the superconducting properties of Y-Ba-Cu-O.

关 键 词：Y-Ba-Cu-O超导体 氟掺杂 态密度 电子结构 

分 类 号：O511[理学—低温物理] TG146.45[理学—物理]