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阻变式随机存储器(RRAM)是目前新型存储器领域的研究热点。基于ZrO2材料,选取Al和Ag作为杂质元素。采用第一性原理方法计算了掺杂条件下ZrO2中氧空位的形成能、氧空位之间的作用能等重要参量。Al(富余)掺杂下,氧空位之间的相互作用能成负值,相互吸引抱团形成导电细丝,阻变特性明显改善,氧空位主导细丝形成。这与相关的实验结果是一致的。Ag掺杂下,Ag的金属性强,氧空位之间相互作用能全为正值,相互排斥。通过模拟观察,Ag主导了细丝形成,并改善了ZrO2材料的阻变特性。
Resistive random access memory (RRAM) is the research focus in the field of new memory. Based on the ZrO2 material, Al and Ag are selected as the impurity elements. The first-principle method is used to calculate the formation of oxygen vacancies in ZrO2, the interaction between oxygen vacancies and other important parameters. Under Al doping, the interaction between oxygen vacancies can become negative, attracting each other to form the conductive filaments and the resistance change properties are obviously improved, oxygen vacancies dominate the filaments formation. This is consistent with the relevant experimental results. Ag doping, Ag strong metallic, oxygen vacancy interaction can all positive, mutual exclusion. Through simulation observation, Ag dominates the filament formation and improves the resistance change property of ZrO2 material.