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

被引：11

作者：

Kuriyama, Ryo ^{[1
]}

Hashiguchi, Masahiro ^{[1
]}

Takahashi, Ryusuke ^{[1
]}

Shimura, Kosuke ^{[1
]}

Ogura, Atsushi ^{[2
,4
]}

Satoh, Shinichi ^{[3
,4
]}

Watanabe, Takanobu ^{[1
]}

机构：

[1] Waseda Univ, Shinjuku Ku, Tokyo 1698555, Japan

[2] Meiji Univ, Kawasaki, Kanagawa 2148571, Japan

[3] Univ Hyogo, Himeji, Hyogo 6712280, Japan

[4] JST CREST, Kawaguchi, Saitama 3320012, Japan

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS | 2014年 / 53卷 / 08期

关键词：

BAND VOLTAGE SHIFT; BORN REPULSIVE PARAMETERS; V-FB SHIFT; INTRINSIC ORIGIN; BOTTOM INTERFACE; ALKALI HALIDES; IONIC SIZES;

D O I：

10.7567/JJAP.53.08LB02

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We show that electric dipole layer at Al2O3/SiO2 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 Al2O3/SiO2 is estimated to about 0.35 V, 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. (C) 2014 the Japan Society of Applied Physics

引用

页码：24 / 27

页数：4

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