書誌事項
- タイトル別名
-
- Electronic Structure and XANES Calculations of Silicate Compounds
抄録
<p>We estimated surface energies of all flat surfaces of forsterite within the framework of density functional theory. We found that surface energy of (120) surface is the lowest and those of (010), (130) and (112) surfaces are followed subsequently. Morphology of forsterite at 0 K is predicted. Calculated Si K-edge XANES spectra of silicon in forsterite are consistent with experiments.</p>
収録刊行物
-
- Journal of Computer Chemistry, Japan
-
Journal of Computer Chemistry, Japan 15 (6), 211-212, 2016
日本コンピュータ化学会
- Tweet
詳細情報 詳細情報について
-
- CRID
- 1390282680157352832
-
- NII論文ID
- 130005300083
-
- ISSN
- 13473824
- 13471767
-
- 本文言語コード
- ja
-
- データソース種別
-
- JaLC
- Crossref
- CiNii Articles
- KAKEN
-
- 抄録ライセンスフラグ
- 使用不可