Formation Mechanism of Conducting Path in Resistive Random Access Memory by First Principles Calculation Using Practical Model Based on Experimental Results

ABSTRACTFor practical use of Resistive Random Access Memory (ReRAM), understanding resistive switching mechanism in transition metal oxides (TMO) is important. Some papers predict its mechanism by using first principles calculation; for example, TMO become conductive by introducing oxygen vacancy in bulk single crystalline TMO. However, most of ReRAM samples have polycrystalline structures. In this paper, we introduced a periodic slab model to depict grain boundary and calculated the surface energy and density of states for surfaces of NiO with various orientations using first-principles calculation to consider the effect of grain boundaries for resistive switching mechanisms of ReRAM. As a results, vacancies can be formed on the side surface of grain more easily than in grain. Moreover, we showed that surface conductivity depends on surface orientation of NiO and the orientation of side surface of grain can change easily by introduction of vacancies, which is the switching mechanism of NiO-ReRAM