Density Functional Calculations for Disordered Boron Carbide Crystals
- 作者: Konovalikhin S.1, Kovalev D.1, Guda S.2
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隶属关系:
- Institute of Structural Macrokinetics and Materials Science, Russian Academy of Sciences
- Southern Federal University
- 期: 卷 92, 编号 11 (2018)
- 页面: 2341-2344
- 栏目: Short Communications
- URL: https://journals.rcsi.science/0036-0244/article/view/170226
- DOI: https://doi.org/10.1134/S0036024418110183
- ID: 170226
如何引用文章
详细
Density functional calculations are performed for boron carbide of the same composition but with different locations of the carbon incorporated into the structure. It is shown that such crystals differ in their unit cell parameters. The data hypothesis confirm that the discrepancy between the unit cell parameters of boron carbide of the same composition is due to the different places where carbon atoms are incorporated into the structure.
作者简介
S. Konovalikhin
Institute of Structural Macrokinetics and Materials Science, Russian Academy of Sciences
编辑信件的主要联系方式.
Email: ksv17@ism.ac.ru
俄罗斯联邦, Chernogolovka, Moscow oblast, 142432
D. Kovalev
Institute of Structural Macrokinetics and Materials Science, Russian Academy of Sciences
Email: gudasergey@gmail.com
俄罗斯联邦, Chernogolovka, Moscow oblast, 142432
S. Guda
Southern Federal University
编辑信件的主要联系方式.
Email: gudasergey@gmail.com
俄罗斯联邦, Rostov-on-Don, 344006