电邮这篇文章 Quantum-chemical study of quasi-one-dimensional vanadium and niobium sulfides with Peierls distortion
- 作者: Kozlova M.N.1, Enyashin A.N.2, Fedorov V.E.1,3
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隶属关系:
- Nikolaev Institute of Inorganic Chemistry, Siberian Branch
- Institute of Solid State Chemistry, Ural Branch
- Novosibirsk National Research State University
- 期: 卷 57, 编号 8 (2016)
- 页面: 1505-1512
- 栏目: Article
- URL: https://journals.rcsi.science/0022-4766/article/view/160349
- DOI: https://doi.org/10.1134/S0022476616080035
- ID: 160349
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详细
The electronic structure and lattice parameters of several quasi-one-dimensional compounds–known VS4, NbCl4, and NbS3 and hypothetical NbS4 and VS3–are obtained using density functional theory. Comparative analysis of chemical bonding and charge distribution in all these compounds reveals the possible origin of the structural instability of NbS4 and VS3.
作者简介
M. Kozlova
Nikolaev Institute of Inorganic Chemistry, Siberian Branch
Email: fed@niic.nsc.ru
俄罗斯联邦, Novosibirsk
A. Enyashin
Institute of Solid State Chemistry, Ural Branch
Email: fed@niic.nsc.ru
俄罗斯联邦, Ekaterinburg
V. Fedorov
Nikolaev Institute of Inorganic Chemistry, Siberian Branch; Novosibirsk National Research State University
编辑信件的主要联系方式.
Email: fed@niic.nsc.ru
俄罗斯联邦, Novosibirsk; Novosibirsk
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