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First-principles study of the formation and electronic structure of a conductive filament in ZnO-based resistive random access memory
Affiliation:a Key Laboratory of Advanced Films of Hebei Province, College of Physics Science & Information Engineering, Hebei Normal University, Shijiazhuang 050024, China;b Department of Physics and Electrical Engineering, Handan College, Handan 056005, China;c School of Material Science and Engineering, Shijiazhuang TieDao University, Shijiazhuang 050043, China
Abstract:Oxygen vacancy plays a crucial role in resistive switching. To date, a quantitative study about the distribution of the oxygen vacancies and its effect on the resistive switching has not yet been reported. In this study, we report our first-principles calculations in ZnO-based resistive switching memory grown on a Pt substrate. We show that the oxygen vacancies prefer to be located in the ZnO (0001) plane, i.e. in the direction parallel to the film surface in the preparation process. These oxygen vacancies drift easily in the film when a voltage is applied in the SET process and prefer to form a line defect perpendicular to the film surface. An isolated oxygen vacancy makes little contribution to the conductivity of ZnO, whereas the ordering of oxygen vacancies in the direction perpendicular to the film surface leads to a dramatic enhancement of the conductivity and thus forms conductive filaments. The semiconducting characteristics of the conductive filaments are confirmed experimentally.
Keywords:first-principles calculations  resistive switching  conductive filament  oxygen-vacancy ordering  
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