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Decoupling Electric Field and Temperature-Driven Atomistic Forming Mechanisms in TaOx/HfO2-Based ReRAMs Using

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Molecular dynamics simulations reveal atomic mechanisms in TaOx/HfO2 resistive switching memories. Tantalum ion migration and oxygen vacancy clustering near the electrode initiate filament formation, requiring a threshold voltage.

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Area of Science:

  • Materials Science
  • Solid-State Electronics
  • Computational Physics

Background:

  • Resistive random access memories (RRAM) utilizing bilayer TaOx/HfO2 stacks exhibit multilevel switching.
  • The atomic-level mechanisms governing the forming process in these devices are not well understood.

Purpose of the Study:

  • To elucidate the atomistic mechanisms of the forming process in TaOx/HfO2 RRAM devices.
  • To analyze ion migration and conductive filament nucleation at the atomic scale.

Main Methods:

  • Molecular dynamics (MD) simulations were employed.
  • An extended charge equilibration scheme combining charge transfer ionic potential and electrochemical dynamics was utilized.
  • Localized effects of applied voltage on ion displacement were modeled.

Main Results:

  • Tantalum ions showed the highest displacement, followed by hafnium ions; oxygen ions exhibited minimal response.
  • Formation of a tantalum-depleted, oxygen-rich zone near the positive electrode and oxygen vacancy clustering near the negative electrode.
  • A minimum threshold voltage is necessary for vacancy clustering; filament growth is localized and thermally activated.

Conclusions:

  • The study clarifies the atomic-level forming mechanism in TaOx/HfO2 RRAM.
  • Ionic segregation and oxygen vacancy clustering are key to conductive filament nucleation.
  • Localized, thermally activated defect generation drives filament growth.