Jeong, Taeyoung Yeu, In Won Ye, Kun Hee Yoon, Seungjae Kim, Dohyun Hwang, Cheol Seong Choi, Jung-Hae 2024-04-04T05:31:21Z 2024-04-04T05:31:21Z 2024-04-04 2024-04 2040-3364 https://pubs.kist.re.kr/handle/201004/149588 The nature of the conducting filament (CF) with a high concentration of oxygen vacancies (V(O)s) in oxide thin film-based resistive random access memory (RRAM) remains unclear. The V(O)s in the CF have been assumed to be positively charged (V-O(2+)) to explain the field-driven switching of RRAM, but V-O(2+) clusters in high concentration encounter Coulomb repulsion, rendering the CF unstable. Therefore, this study examined the oxidation state of V(O)s in the CF and their effects on the switching behavior via density functional theory calculations using a Pt/TiO2/Ti model system. It was concluded that the V(O)s in the CF are in a low oxidation state but are transformed to V-O(2+) immediately after release from the CF. In addition, the short-range interactions between V(O)s were confirmed to facilitate the rupture and rejuvenation of the CF by reducing the required activation energy. Finally, an improved switching model was proposed by considering the charge transition of V(O)s, providing a plausible explanation for the reported coexistence of two opposite bipolar switching polarities: the eight-wise and the counter-eight-wise polarities. English Royal Society of Chemistry Study of a charge transition-driven resistive switching mechanism in TiO2-based random access memory via density functional theory Article 10.1039/d3nr06614b 1 Nanoscale, v.16, no.14, pp.6949 - 6960 Nanoscale 16 14 6949 6960 Y scie scopus 001186244100001 2-s2.0-85188132769 Chemistry, Multidisciplinary Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Applied Chemistry Science & Technology - Other Topics Materials Science Physics Article ANATASE STATE TOTAL-ENERGY CALCULATIONS ELASTIC BAND METHOD