Competitive conductive mechanism of interstitial Ag and oxygen vacancies in Ag/Ta2O5/Pt stack
Competitive conductive mechanism of interstitial Ag and oxygen vacancies in Ag/Ta2O5/Pt stack
复制标题
Ag/Ta2O5/Pt 叠层中间隙 Ag 和氧空位的竞争导电机制
DOI：
10.1063/1.5109267
复制
发表时间：
2019
影响因子：
3.2
通讯作者：
Chu Paul K
中科院分区：
文献类型：
--
作者：
Hu Qi;Fan Zhiqiang;Huang Anping;Zhang Xinjiang;Zhao Rumeng;Gao Qin;Ji Yuhang;Dou Wenzhen;Wang Mei;Shi Hongliang;Xiao Zhisong;Jiang Xiangwei;Chu Paul K
本文用密度泛函理论和非平衡绿色函数计算研究了Ag/Ta_2O_5/Pt体系中Ag空位和氧空位共存时的输运性质。结果表明，间隙态银空位和氧空位的共存导致透射系数的降低，表明银空位和氧空位之间存在着对抗性的相互作用。间隙银原子占据了氧空位的位置，堵塞了氧空位通道。或者，氧空位从附近的Ag沟道吸引电子，从而降低电导。通过比较不同的双组分通道，发现Ag和氧空位形成了一个完整的氧空位通道，其中少量Ag原子引起更高的电导。tend.to我们的计算揭示了间隙银和氧空位的竞争性导电机制，并为研究多组分通道和改进未来突触器件的设计提供了一种有前途的策略。
The transport properties of Ag/Ta2O5/Pt with coexisting interstitial Ag and oxygen vacancies are examined by density-functional theory.and nonequilibrium Green’s function calculation. The results show that the coexistence of interstitial Ag and oxygen vacancies results in a.reduced transmission coefficient, implying an antagonistic interaction between Ag and oxygen vacancies. Interstitial Ag atoms may take the.position of oxygen vacancies and block the oxygen vacancy channel. Alternatively, oxygen vacancies attract electrons from nearby Ag channels.thereby reducing the conductance. By comparing the different dual-component channels, it is found that Ag and oxygen vacancies tend.to form a complete oxygen vacancy channel with a few Ag atoms giving rise to higher conductance. Our calculation reveals a competitive.conductive mechanism of interstitial Ag and oxygen vacancies and a promising strategy to investigate multicomponent channels and.improve the design of future synaptic devices.