%0 Journal Article %T DETERMINATION OF EMPIRICAL PARAMETERS OF INTER-IONIC POTENTIALS FOR LITHIUM NIOB ATE
LiNbO3晶体中离子间相互作用势的经验参量的确定 %A FENG SHAO-XIN %A LI BAO-HUI %A JIN QING-HUA %A GUO ZHEN-YA %A DING DA-TONG %A
冯少新 %A 李宝会 %A 金庆华 %A 郭振亚 %A 丁大同 %J 物理学报 %D 2000 %I %X As a kind of important ferroelectric materials, lithium niobate is studied using shell model. The inter-ionic potential parameters and the shell model parameter s are determined by empirical parameterization. Three-body bond bending terms is used to model the directional character of covalent bonds. Employment of relaxe d fitting method makes our result better than the old one. %K lithium niobate %K shell model %K empirical parameters %K inter-ionic potentials
铌酸锂, %K 壳层模型, %K 经验参量, %K 离子间互作用势 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=A377BA3306596DC0&yid=9806D0D4EAA9BED3&vid=2A3781E88AB1776F&iid=59906B3B2830C2C5&sid=A7071151A963A1BF&eid=9988E57A3960B075&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=3