| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5361221 | Applied Surface Science | 2012 | 7 Pages |
Abstract
⺠Density functional theory has been used to study cubic SrHfO3 (0 0 1) surface. ⺠There is the same changed trend of interplanar distance for two slabs. ⺠Band gaps of surface systems are reduced by comparison with those of bulk system. ⺠SrO-terminated slab is more stable.
Related Topics
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Physical and Theoretical Chemistry
Authors
Qi-Jun Liu, Zheng-Tang Liu, Ji-Chao Chen, Li-Ping Feng, Hao Tian, Wei Zeng,