Temperature-dependent valence bond structure study of tantalum
Autor: | Nie Yaozhuang, LI Xiaobo, Peng Hongjian, Xie Youqing |
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Rok vydání: | 2007 |
Předmět: |
Valence (chemistry)
Materials science Atmospheric temperature range Condensed Matter Physics Bond order Electronic Optical and Magnetic Materials Bond length Condensed Matter::Materials Science Crystallography Chemical bond Valence bond theory Electrical and Electronic Engineering Bond energy Atomic physics Valence electron |
Zdroj: | Physica B: Condensed Matter. 393:119-124 |
ISSN: | 0921-4526 |
DOI: | 10.1016/j.physb.2006.12.071 |
Popis: | Based on energy and shape method for determining the VB structures of crystal, the valence bond structure of tantalum is redetermined at room temperature and extended to the whole temperature range. The outer shell valence electronic distribution of Ta at room temperature is e c 2.9011 (d c 2.2711 +s c 0.1580 +p c 0.4720 ) e f 2.0989 in crystal. The single-bond radius value is 1.2812 A. The temperature-dependent valence structure of tantalum is not a drastic change. The bond length and single-bond radius increases while the bond energy and bond valence decreases with increasing temperature. The valence electrons e c (d c , s c and p c ) decrease while e f increases with increasing temperature. |
Databáze: | OpenAIRE |
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