Title :
The calculation of doped vanadium dioxide thin films
Author :
Xue-song Tian ; Qi Wang ; Jian-feng Sun ; Zhi-gang Fan
Author_Institution :
Coll. of Sci., Heilongjiang Univ. of Sci. & Technol., Harbin, China
Abstract :
The vanadium oxide thin films are prepared on zinc selenide by DC magnet sputtering method. The components are gotten using The X-ray photoelectron spectroscopy (XPS). It´s phase transition temperature can be changed by doping. Utilizing the Castep program package of the Material Studio simulation tool, based on local density function approximation and pseudopotential method, optimization for the geometric structure of vanadium dioxides is accomplished with the BFGS calculate way. The phase transition temperature of the vanadium oxide thin films doped with Cr and Al is higher; and doped with W and F is lower.
Keywords :
X-ray photoelectron spectra; aluminium; chromium; density functional theory; doping profiles; fluorine; optimisation; pseudopotential methods; solid-state phase transformations; sputter deposition; thin films; tungsten; vanadium compounds; Castep program package; DC magnet sputtering method; VO2:Al; VO2:Cr; VO2:F; VO2:W; X-ray photoelectron spectroscopy; XPS; ZnSe; doping; geometric structure; local density function approximation; optimization; phase transition temperature; pseudopotential method; vanadium dioxide thin films; zinc selenide; Doping; Optical films; Optical sensors; Semiconductor process modeling; Sputtering; Temperature measurement; doping; phase transition; vanadium dioxide;
Conference_Titel :
Optoelectronics and Microelectronics (ICOM), 2013 International Conference on
Conference_Location :
Harbin
Print_ISBN :
978-1-4799-1214-8
DOI :
10.1109/ICoOM.2013.6626539
