Moisture effect on the diffusion of Cu ions in Cu/Ta₂O₅/Pt and Cu/SiO₂/Pt resistance switches: a first-principles study

References

• Terabe K, Hasegawa T, Nakayama T, et al. Quantized conductance atomic switch. Nature. 2005;433:47–50.
   PubMed Web of Science ®Google Scholar
• Wedig A, Luebben M, Cho DY, et al. Nanoscale Cation motion in TaOx, HfOx and TiOx memristive systems. Nat Nanotechnol. 2016;11:67–74.
   PubMed Web of Science ®Google Scholar
• Yu SM, Chen HY, Gao B, et al. HfOx based vertical resistive switching random access memory suitable for bit-cost-effective three-dimensional cross-point architecture. ACS Nano. 2013;7:2320–2325.
   PubMed Web of Science ®Google Scholar
• Mehonic A, Shluger AL, Gao D, et al. Silicon oxide (SiOx): a promising material for resistance switching? Adv Mater. 2018;30:1801187.
   Web of Science ®Google Scholar
• Tsuruoka T, Valov L, Tappertzhofen S, et al. Redox reactions at Cu,Ag/Ta2O5 interfaces and the effects of Ta2O5 film density on the forming process in atomic switch structures. Adv Funct Mater. 2015;25:6374–6381.
   Web of Science ®Google Scholar
• Tsuruoka K, Terabe K, Hasegawa T, et al. Effects of moisture on the switching characteristics of oxide-based, gapless-type atomic switches. Adv Funct Mater. 2012;22:70–77.
   Web of Science ®Google Scholar
• Sakamoto T, Lister K, Banno N, et al. Electronic transport in Ta2O5 resistive switch. Appl Phys Lett. 2007;91:092110.
   Web of Science ®Google Scholar
• Nandakumar SR, Minvielle M, Nagar S, et al. A 250 mV Cu/SiO2/W memristor with half-integer quantum conductance states. Nano Lett. 2016;16:1602–1608.
   PubMed Web of Science ®Google Scholar
• Valov I, Tsuruoka T. Effects of moisture and redox reactions in VCM and ECM resistive switching memories. J Phys D: Appl Phys. 2018;51:413001.
   Web of Science ®Google Scholar
• Tappertzhofen S, Waser R, Valov I. Impact of the counter-electrode material on redox processes in resistive switching memories. ChemElectroChem. 2014;1:1287.
   Web of Science ®Google Scholar
• Lübben M, Menzel S, Park SG, et al. SET kinetics of electrochemical metallization cells: influence of counter-electrodes in SiO2/Ag based systems. Nanotechnology. 2017;28:135205.
   PubMed Web of Science ®Google Scholar
• Oshio S, Yamamoto M, Kuwata J, et al. Interaction of reactively sputtered TaOx thin films with In-Sn-O thin films and properties of TaOx thin films. J Appl Phys. 1992;71:3471.
   Web of Science ®Google Scholar
• Takeuchi M, Martra G, Coluccia S, et al. Evaluation of the adsorption states of H2O on oxide surfaces by vibrational absorption: near-and mid-infrared spectroscopy. J Near Infrared Spectrosc. 2009;17:373.
   Web of Science ®Google Scholar
• Kresse G, Furthmüller J. Efficiency of ab-Initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci. 1996;6:15–50.
   Web of Science ®Google Scholar
• Kresse G, Furthmüller J. Efficient iterative schemes for ab-Initio total-energy calculations using a plane-wave basis set. Phys Rev B. 1996;54:11169–11186.
   PubMed Web of Science ®Google Scholar
• Kresse G, Joubert J. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B. 1999;59:1758–1775.
   Web of Science ®Google Scholar
• Wang Y, Perdew JP. Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling. Phys Rev B. 1991;44:13298–13307.
   PubMed Web of Science ®Google Scholar
• Shi XY, Xiao H, Liao XB, et al. Humidity Effect on Ion Behaviors of Moisture-Driven CO2 Sorbents. J Chem Phys. 2018;149:164708.
   PubMed Web of Science ®Google Scholar
• Henkelman G, Jonsson H. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points. J Chem Phys. 2000;113:9978–9985.
   Web of Science ®Google Scholar
• Ali R, Fan Y, King S, et al. Simulation of Cu Diffusion in Porous Low-k Dielectrics. ECS Trans. 2017;77:121–132.
   Google Scholar
• Sieber I, Hildebrand H, Friedrich A, et al. Initiation of tantalum oxide pores grown on tantalum by potentiodynamic anodic oxidation. J Electroceram. 2016;16:35–39.
   Web of Science ®Google Scholar
• Xiao B, Gu TK, Tada T, et al. Conduction paths in Cu/amorphous-Ta2O5/Pt atomic switch: first-principles studies. J Appl Phys. 2014;115:034503. .
   Web of Science ®Google Scholar
• Gu TK, Wang ZC, Tada T, et al. First-Principles simulations on bulk Ta2O5 and Cu/Ta2O5/Pt heterojunction: electronic structures and transport properties. J Appl Phys. 2009;106:103713.
   Web of Science ®Google Scholar
• Comas-Vives A. Amorphous SiO2 Surface Models: energetics of the Dehydroxylation Process, Strain, Ab Initio Atomistic Thermodynamics and IR Spectroscopic Signatures. Phys Chem Chem Phys. 2016;18:7475–7482.
   PubMed Web of Science ®Google Scholar
• Li WW, Ando Y, Watanabe S. Cu diffusion in amorphous Ta2O5 studied with a simplified neural network potential. J Phys Soc Jpn. 2017;86:104004.
   Google Scholar
• Alen P, Vehkamaki M, Ritala M, et al. Diffusion barrier properties of atomic layer deposited ultrathin Ta2O5 and TiO2 films. J Electrochem Soc. 2006;153:304–308.
   Web of Science ®Google Scholar
• Shigeoka Y, Tsuruoka T, Hasegawa T. The rate limiting process and its activation energy in the formation process of a Cu/Ta2O5/Pt gapless-type atomic switch. Jpn J Appl Phys. 2018;57:035202.
   Web of Science ®Google Scholar
• Shi XY, Li QB, Wang T, et al. Kinetic analysis of an anion exchange absorbent for CO2 capture from ambient air. PLoS ONE. 2017;12:e0179828.
   PubMed Web of Science ®Google Scholar