A comparative study on structural and electronic properties and formation energy of bulk alpha-Fe2O3 using first-principles calculations with different density functionals | |
Zhou, Zhaohui; Shi, Jinwen; Guo, Liejin | |
刊名 | COMPUTATIONAL MATERIALS SCIENCE |
2016 | |
卷号 | 113页码:117-122 |
关键词 | Energy of formation Hybrid functionals Hematite First-principles calculations |
ISSN号 | 0927-0256 |
URL标识 | 查看原文 |
内容类型 | 期刊论文 |
URI标识 | http://www.corc.org.cn/handle/1471x/2963746 |
专题 | 西安交通大学 |
推荐引用方式 GB/T 7714 | Zhou, Zhaohui,Shi, Jinwen,Guo, Liejin. A comparative study on structural and electronic properties and formation energy of bulk alpha-Fe2O3 using first-principles calculations with different density functionals[J]. COMPUTATIONAL MATERIALS SCIENCE,2016,113:117-122. |
APA | Zhou, Zhaohui,Shi, Jinwen,&Guo, Liejin.(2016).A comparative study on structural and electronic properties and formation energy of bulk alpha-Fe2O3 using first-principles calculations with different density functionals.COMPUTATIONAL MATERIALS SCIENCE,113,117-122. |
MLA | Zhou, Zhaohui,et al."A comparative study on structural and electronic properties and formation energy of bulk alpha-Fe2O3 using first-principles calculations with different density functionals".COMPUTATIONAL MATERIALS SCIENCE 113(2016):117-122. |
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