物理学报2011，Vol.60Issue(7)：512-518,7.
第一性原理计算α-ScDz（D=H，He）的弹性常数
First-principles calculation for elastic constants of α-SCDx （ D = H, He）
摘要
Abstract
The elastic constants of α-ScH （x =0, 1/4, 1/8, 1/32） and α-ScHex（x =0, 1/4, 1/8, 1/32） are studied by the first-principles method. It is found that the addition of hydrogen to the scandium has an effect greatly different from the addition of helium to this rare-earth metal. The elastic constants of the α-ScH system almost increase with hydrogen concentration increasing, which is in agreement with the experimental observation. Whereas, in the case of α-ScH% system, the elastic constants almost decrease with the increase of helium concentration.关键词
第一性原理/弹性常数/α-ScHx/α-ScHeKey words
first-principles/elastic constant/α-ScHx/α-ScHex分类
数理科学引用本文复制引用
范开敏,杨莉,彭述明,龙兴贵,吴仲成,祖小涛..第一性原理计算α-ScDz（D=H，He）的弹性常数[J].物理学报,2011,60(7):512-518,7.基金项目
国家自然科学基金.中国工程物理研究院联合基金（批准号：10976007）,中央高校基本科研业务费专项资金（批准号：ZYGX2009J040）和四川文理学院院级资金（批准号：2010A03Z）资助的课题. （）
