期刊
MATHEMATICAL AND COMPUTER MODELLING
卷 58, 期 1-2, 页码 275-281出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.mcm.2012.11.009
关键词
Density functional theory; TiO2 ReRAM; Oxygen vacancy filament
类别
资金
- Non-Volatile Memory Technology Initiative (NMTRI)
- MSD Focus Center research programs
- NSF
First principles density functional theory calculations were employed to study the band structure of reduced rutile TiO2 and the implications of oxygen vacancy charge states on the switching mechanisms observed in resistance change random access memory devices. The formation of conductive paths in TiO2 composed of oxygen vacancy filaments were investigated using the LDA + U-d + U-p method to calculate the band-structure, electron localization functions, partial charge densities of defect states and the Bader charge decompositions. The thermodynamic stability of charged oxygen vacancies on resistive switching are discussed based on the defect formation energies and a resistive switching mechanism is proposed based on models of filament formation and rupture. (C) 2012 Elsevier Ltd. All rights reserved.
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