CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study
Chen, S; Liu, JJ; Wang, LH; Luo, HJ; Gao, YF; jliu@mail.sic.ac.cn; yfgao@shu.edu.cn
2014
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume118Issue:33Pages:18938—18944
AbstractTailoring effectively the hysteresis loop width of VO2 semiconductor-metal transition (SMT) is crucial to develop thermal sensor devices. The Ti-doping is known as the most effective method to reduce Delta T-c and has been considered as the prototypical model in understanding the mechanism by which the Delta T-c, of VO2 MST could be manipulated. Here we present a joint experimental and first-principles computational study on non-doped and Ti-doped VO2 to clarify the mechanism of Ti-doping on narrowing the hysteresis loop width of VO2. On the basis of the analyses of differential scanning calorimetry (DSC), we found that phase transition temperatures in the cooling circle increase faster than those in the heating circle with increasing Ti concentrations, exhibiting a hysteresis width reduction at 2 degrees C per Ti at. %. First-principles calculations reveal that dopant Ti atoms break the octahedral symmetry of local structure in VO2 (R) phase. This distortion is propagated in anisotropy and exhibits an obvious nonlocal effect. In contrast, the Ti-doping-induced structural change in VO2 (M) phase is only constrained in Ti-involved chain along the a-axis. The calculated energy profiles for TixV1-xO2 phase transition shows that structural stability and activation energies increased with the increase of Ti concentration. The activation barriers in Ti-doped VO2 (R) phases are increased more remarkably than that in Ti-doped VO2 (M) phases, which is consistent with experimental observation of concentration-dependent reduction of thermal hysteresis width.
KeywordMetal-insulator-transition Total-energy Calculations Dioxide Thin-films Wave Basis-set Vanadium Dioxide Phase-transition Visible Transmittance Electronic-properties Optical-properties Microstructure
Indexed BySCI
Language英语
WOS IDWOS:000340809600014
Citation statistics
Cited Times:39[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14542
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorjliu@mail.sic.ac.cn; yfgao@shu.edu.cn
Recommended Citation
GB/T 7714
Chen, S,Liu, JJ,Wang, LH,et al. Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(33):18938—18944.
APA Chen, S.,Liu, JJ.,Wang, LH.,Luo, HJ.,Gao, YF.,...&yfgao@shu.edu.cn.(2014).Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study.JOURNAL OF PHYSICAL CHEMISTRY C,118(33),18938—18944.
MLA Chen, S,et al."Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study".JOURNAL OF PHYSICAL CHEMISTRY C 118.33(2014):18938—18944.
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