First principles calculations on electron conduction paths in solid electrolytes: Toward an understanding of the working mechanism of atomic switches

S. Watanabe, T. K. Gu, Z. C. Wang, T. Tada

Research output: Contribution to journalArticle

Abstract

As a first step to clarify the microscopic working mechanism of atomic switches using solid electrolytes, we have examined electronic states and electron transport properties of Ag-Ag 2S-Ag and Cu-Ta 2O 5-Pt systems using standard density functional theory and novel non-equilibrium Green's function method. In both the systems, we found that the bridge structures consisting of excess Ag or Cu in the middle solid electrolyte layer work as electronic conduction paths. In Cu-Ta 2O 5-Pt, we also found that O vacancy is much less effective for the enhancement of electronic conduction than excess Cu.

Original languageEnglish
Pages (from-to)577-582
Number of pages6
JournalNippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals
Volume73
Issue number8
DOIs
Publication statusPublished - Aug 1 2009
Externally publishedYes

Fingerprint

Solid electrolytes
solid electrolytes
conduction electrons
switches
Switches
Electron transport properties
Electrons
Electronic states
electronics
Green's function
Vacancies
Density functional theory
bridges (structures)
conduction
Green's functions
transport properties
density functional theory
augmentation
electrons

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Mechanics of Materials
  • Metals and Alloys
  • Materials Chemistry

Cite this

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AU - Tada, T.

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AB - As a first step to clarify the microscopic working mechanism of atomic switches using solid electrolytes, we have examined electronic states and electron transport properties of Ag-Ag 2S-Ag and Cu-Ta 2O 5-Pt systems using standard density functional theory and novel non-equilibrium Green's function method. In both the systems, we found that the bridge structures consisting of excess Ag or Cu in the middle solid electrolyte layer work as electronic conduction paths. In Cu-Ta 2O 5-Pt, we also found that O vacancy is much less effective for the enhancement of electronic conduction than excess Cu.

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