Molecular dynamics study on the formation of dipole layer at high-k/SiO2 interfaces

Ryo Kuriyama, Masahiro Hashiguchi, Ryusuke Takahashi, Kosuke Shimura, Atsushi Ogura, Shinichi Satoh, Takanobu Watanabe

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)


We show that electric dipole layer at Al2O3/SiO 2 interface is reproduced by classical molecular dynamics simulation with a simple two-body rigid ion model. The dipole layer was spontaneously formed by the migration of oxygen ions from Al2O3 side to SiO2 side. Built-in potential at the Al2O 3/SiO2 is estimated to about 0.35V, which roughly compares with the experimental value of the flat band voltage shift. Contrary, no significant dipole layer appeared at Y2O3/SiO2 interface. The simulation results are explained in terms of the difference in the magnitude of multipole moments around cations of these oxides.

Original languageEnglish
Article number08LB02
JournalJapanese journal of applied physics
Issue number8 SPEC. ISSUE 1
Publication statusPublished - 2014 Aug

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)


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