Depressed transition temperature of WxV1−xO2: mechanistic insights from the X-ray absorption fine structure (XAFS) spectroscopy
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Lele Fan, Weifeng Huang, Shuangming Chen, Shi Chen, Feihu Chen, Chongwen Zou
The mechanism for the decreasing critical temperature (TC) of the metal–insulator transition (MIT) in vanadium dioxide (VO2) by tungsten (W) doping is a matter of debate. Here, to clarify the correlation between W doping and TC, the electronic and geometrical structures around W and V atoms in WxV1−xO2 samples are systematically investigated by X-ray absorption fine structure (XAFS) spectroscopy. The evidence of electron doping of W6+ ions in VO2 is obtained from the reduction of V4+ to V3+ ions. This kind of electron doping has been considered to favor the MIT process. Moreover, from the XAFS results, the local rutile structure around W dopants is identified even at low doping, and acts as the structure-guided domain to facilitate the MIT in VO2. Considering the electronic band structures of WxV1−xO2 samples, the internal stresses induced by W6+ doping yield the detwisting of the nearby monoclinic VO2 lattice. This lattice detwisting will drive the downward shift of the π* electron band and a smaller separation between antibonding and bonding d∥ orbitals in the band structure of VO2, which induces the decreased band gaps of WxV1−xO2 samples. As a consequence, the potential energy barrier for phase transition is lowered and the reduced TC is observed.
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