Giant reduction of the phase transition temperature for beryllium doped VO2

文献情報

出版日 2013-02-01

DOI 10.1039/C3CP44476G

インパクトファクター 3.676

著者

Jiajia Zhang, Haiyan He, Yi Xie

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要旨

We propose a route to largely decrease the transition temperature for the insulator–metal transition of VO2 by doping with beryllium atoms. Our first-principles calculations show that the doped beryllium atoms can unprecedentedly decrease the phase transition temperature by 58 K per at% Be, which exceeds any doping attempts reported for VO2. Furthermore, it is found that the transition temperature of the Be-doped VO2 can be further lowered by applying external uniaxial pressure. A combination of Be-doping and external pressure realizes the occurrence of the phase transition at the desired room temperature. The nature of these findings is revealed to be essentially relevant to the strain-induced dimerization of V–V chains in the R-phased VO2.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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