首页 | 本学科首页   官方微博 | 高级检索  
文章检索
  按 检索   检索词:      
出版年份:   被引次数:   他引次数: 提示:输入*表示无穷大
  收费全文   1篇
  物理学   1篇
  2003年   1篇
排序方式: 共有1条查询结果,搜索用时 93 毫秒
1
1.
Atomistic static computer simulation techniques have been applied to investigate the energetics of defects and dopants in Sr2RuO4 (SRO) and Ca2RuO4 (CRO). Interatomic potentials have been derived which reproduced the crystal structures of these systems. Solution energies are calculated for different dopant ions to ascertain the site occupied by the dopant ion in the host lattice. Monovalent and divalent ions are predicted to substitute preferentially at the alkaline-earth site in both the systems. Trivalent cations of smaller ionic radii substitute at the Ru sites while those having larger ionic radii prefer to substitute at the Sr or Ca sites in SRO or CRO systems, respectively. In addition, there is a possibility of self-compensation, where a trivalent cation can substitute at both Sr(Ca) and Ru sites. Tetravalent dopants are found to substitute at the ruthenium sites in both systems.  相似文献
1
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号