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dc.contributor.author沈耀文
dc.contributor.author张志鹏
dc.contributor.author陈龙海
dc.date.accessioned2011-06-20T07:50:17Z
dc.date.available2011-06-20T07:50:17Z
dc.date.issued1996-10
dc.identifier.citation物理学报,1996(10):1737-1743zh_CN
dc.identifier.issn1000-3290
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/9667
dc.description.abstract【中文摘要】 用第一原理的LDFLMTOASA超元胞法,模拟由X射线吸收谱精细结构测定的BaBiO3中,Bi有两种价态Bi3+和Bi5+及与之相应的两种不同键长的Bi—O八面体,以及K掺杂对晶体结构的影响.计算了Ba4Bi4O12,(Ba3K)Bi4O12,(BaK)Bi2O6,(BaK3)Bi4O12,K2Bi2O6(简记为(404),(314),(112),(134),(022))五种“样本”的电子结构.结果表明,(404)和(314)分别为Eg=16eV及Eg=15eV的半导体,其它“样本”为金属.总能的分析表明(134)是不稳定的,故溶解极限为x=05.以“取样”方式按伯努利分布确定任意组分各“样本”的概率,进而计算了(Ba1-xKx)BiO3电子结构随组分的变化.最后用逾渗模型说明了超导转变温度Tc在x=0.25附近的突变 【英文摘要】 Electronic structure for BKB has been calculated by using LMTO ASA Supercell method based on the X ray absorption fine structure (XAFS) spectroscopy measurements. Measurements show that Bi posseses two valence states Bi 3+ and Bi 5+ and their Bi O bond lengths are diffferent,the difference decreases with the increase of K concentration. Calculations are performed on five samples namely Ba 4Bi 4O 12 (404),(Ba 3K)Bi 4O 12 (314), (BaK)Bi 2O 6(112), (BaK 3)Bi 4O 12 (134)and K ...zh_CN
dc.description.sponsorship国家自然科学基金及福建省自然科学基金zh_CN
dc.language.isozhzh_CN
dc.publisher《物理学报》编辑部zh_CN
dc.title(Ba_1-_xK_x)BiO_3电子结构与超导电性zh_CN
dc.title.alternativeTHE ELECTRONIC STRUCTURE AND SUPERCONDUCTIVITY FOR (Ba 1- x K x )BiO 3zh_CN
dc.typeArticlezh_CN


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