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Due to its magnetic and semiconductor properties, V2O5 has shown tremendous potential in resistive switching memory.
This paper investigates the resistive mechanism of oxygen vacancies in V2O5. The formation energies of different oxygen vacancies are calculated.
The results show that oxygen vacancies tend to form single-component conductive filaments. In mixed oxygen vacancies clusters, the charge transfer characteristics and density of states of the V2O5-VO13 vacancies are the most significant, which is consistent with the analysis of formation energy data.
The charge transfer of cluster oxygen vacancies was calculated, showing that V atoms directly connected to oxygen vacancies tend to lose electrons, while adjacent oxygen atoms are more likely to gain electrons. In V2O5-VO12 and V2O5-VO13, the number of electrons obtained by O2 and O16 exceeds the average by 36.4% and 33.2%. Thus, the formation of oxygen vacancies effectively improves the resistance characteristics of the V2O5.