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Wang, Jing-Qin; Kang, Hui-Ling; Zhang, Ying, E-mail: 15222159859@163.com2018
AbstractAbstract
[en] The electronic structure, energy band and density of states (DOS) were calculated from the density function theory (DFT) for pure SnO2 and Ti doped SnO2 of various concentrations. The results reveal that: the 3d electronic state of Ti atom has a great contribution to the conduction band at the Fermi level, as a result, the conduction band shifts to the lower energy level, the forbidden bandwidth is smaller and the electrical conductivity is improved than that of pure SnO2. With the decreases of Ti doping concentration, the forbidden bandwidth decreases gradually, in other words, the electrical performance is gradually improved, and when the doping concentration of Ti is 6.25%, the forbidden bandwidth is at the lowest level, that is 0.148 eV. According to the semiconductor theory, the relative electron hole number and the electron hole effective mass of Ti doped system were calculated. The results show that with the decreases of Ti doping concentration, the relative electron hole number increases and the electron hole effective mass decreases. When the doping concentration of Ti is 6.25%, the hole effective mass is 0.242 m0, the relative quantity of hole is 0.5355. At last, the experiment verification reveals that when the doping concentration of Ti is 6.25%, the experimental value of electric conductivity is the largest, that is 58.09%IACS. In summary, when the doping concentration of Ti is 6.25%, the SnO2 material has better electrical properties. This research provides theory and data support for further study on AgSnO2 contact materials. (paper)
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Source
Available from http://dx.doi.org/10.1088/2053-1591/aad077; Country of input: International Atomic Energy Agency (IAEA)
Record Type
Journal Article
Journal
Materials Research Express (Online); ISSN 2053-1591;
; v. 5(7); [11 p.]

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