%0 Journal Article
%T Empirical Calculations of the Formation Energies of Point Defects in Lithium Niobate<br>LiNbO3晶体点缺陷形成能的经验途径计算
%A FENG Shao-Xin
%A LI Bao-Hui
%A YANG Zhi
%A JIN Qing-Hua
%A GUO Zhen-Ya
%A DING Da-Tong
%A <br>冯少新
%A 李宝会
%A 杨智
%A 金庆华
%A 郭振亚
%A 丁大同
%J 无机材料学报
%D 2003
%I Science Press
%X The formation energies of point defects in lithium niobate crystals were calculated in terms of the inter-ionic potential parameters and shell model parameters, determined by empirical parameterization. The results show that Li Frenkel disorders are the intrinsic defects in stoichio-metric lithium niobate crystals and Li vacancy model is the dominant defect species in congruent lithium niobate crystals.
%K lithium niobate
%K formation energies of point defects
%K shell model
%K empirical calcula- tions<br>铌酸锂
%K 电子壳层模型
%K 点缺陷形成能
%K 经验途径计算
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=84529CA2B2E519AC&jid=ABC0063016AF57E1C73EF43C8D2212BD&aid=A66082087442827B&yid=D43C4A19B2EE3C0A&vid=13553B2D12F347E8&iid=0B39A22176CE99FB&sid=E2B9962CCD971A0D&eid=334C61CAF4C8EF4E&journal_id=1000-324X&journal_name=无机材料学报&referenced_num=2&reference_num=25