TY - JOUR
T1 - Investigation of the dynamic interaction between dopants and oxygen vacancies in amorphous Nb2O5
T2 - Simulation and experimental study
AU - Shih, Chia Jung
AU - Tsai, Meng Hung
AU - Chen, Yu Chen
AU - Chen, Yu Ta
AU - Li, Ming Jen
AU - Yen, Hung Chi
AU - Huang, Cheng Liang
N1 - Publisher Copyright:
© 2023 Elsevier B.V.
PY - 2023/12
Y1 - 2023/12
N2 - Resistive random-access memory can potentially be used to construct high-speed, low-power, and high-density data-storage drives. Managing oxygen flow at the electrode-oxide interface is vital for improving endurance. Dopant-oxygen interactions govern ion diffusion and vacancy creation. The interactions between multivalent dopants and oxygen vacancies in Nb2O5 have been investigated in previous studies. In this study, we simulated the relationship between a multivalent dopant Mn and oxygen vacancies in amorphous Nb2O5. We introduced oxygen vacancies and Mn ions with different oxidation states to determine the effects of spin densities and band gaps. Experimental results obtained from deposited amorphous thin films validated the simulation results, demonstrating a close agreement between the experimentally obtained (1.11 eV) and predicted bandgaps (0.93 eV). The results of study illuminate the amorphous structure of Nb2O5, the interactions between multivalent Mn dopants and oxygen vacancies, and the resulting electronic properties, offering the potential for designing and optimizing functional materials.
AB - Resistive random-access memory can potentially be used to construct high-speed, low-power, and high-density data-storage drives. Managing oxygen flow at the electrode-oxide interface is vital for improving endurance. Dopant-oxygen interactions govern ion diffusion and vacancy creation. The interactions between multivalent dopants and oxygen vacancies in Nb2O5 have been investigated in previous studies. In this study, we simulated the relationship between a multivalent dopant Mn and oxygen vacancies in amorphous Nb2O5. We introduced oxygen vacancies and Mn ions with different oxidation states to determine the effects of spin densities and band gaps. Experimental results obtained from deposited amorphous thin films validated the simulation results, demonstrating a close agreement between the experimentally obtained (1.11 eV) and predicted bandgaps (0.93 eV). The results of study illuminate the amorphous structure of Nb2O5, the interactions between multivalent Mn dopants and oxygen vacancies, and the resulting electronic properties, offering the potential for designing and optimizing functional materials.
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U2 - 10.1016/j.mseb.2023.116891
DO - 10.1016/j.mseb.2023.116891
M3 - Article
AN - SCOPUS:85171621218
SN - 0921-5107
VL - 298
JO - Materials Science and Engineering: B
JF - Materials Science and Engineering: B
M1 - 116891
ER -