Activation diffusion of oxygen under conditions of the metal-semiconductor phase transition in vanadium dioxide

被引：6
|
作者：
Boriskov, P. P. [1 ]
Belyaev, M. A. [1 ]
Velichko, A. A. [1 ]
机构：
[1] Petrozavodsk State Univ, Petrozavodsk 185910, Russia
来源：
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A | 2017年 / 91卷 / 06期
基金：
俄罗斯科学基金会;
关键词：
vanadium dioxide; metal-semiconductor transition; activation diffusion; oxygen vacancies; density functional method; VO2;
D O I：
10.1134/S003602441706005X
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Density functional theory is used to calculate the energies of formation of oxygen vacancies and migration of oxygen in the monoclinic and rutile phases of vanadium dioxide. The results are compared to estimates of the parameters of activation diffusion of oxygen using data from the electron-beam modification of thin film structures of vanadium dioxide and their subsequent reduction in the temperature range of 20-100A degrees C. It is shown that diffusion in both phases of vanadium dioxide has a preferential direction of oxygen migration along axis D degrees in the monoclinic phase and axis N in the rutile phase. The difference between the rate of oxygen vacancy generation upon electron-beam exposure above and below the temperature of metal-semiconductor phase transition is explained by the jump (similar to 150%) in the activation energy of oxygen diffusion upon the structural transition of rutile-monoclinic phase. The mobility of oxygen (oxygen vacancies) correspondingly changes by more than an order of magnitude.
引用
收藏
页码：1064 / 1069
页数：6
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