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

共 12 条

[1] Molecular Dynamics Simulation of Dipole Layer Formation at High-k/SiO2 Interfaces
Watanabe, T.
Kuriyama, R.
Hashiguchi, M.
Takahashi, R.
Shimura, K.
Ogura, A.
Satoh, S.
SEMICONDUCTORS, DIELECTRICS, AND METALS FOR NANOELECTRONICS 12, 2014, 64 (08): : 3 - 15
[2] Positive and negative dipole layer formation at high-k/SiO2 interfaces simulated by classical molecular dynamics
Shimura, Kosuke
Kunugi, Ryota
Ogura, Atsushi
Satoh, Shinichi
Fei, Jiayang
Kita, Koji
Watanabe, Takanobu
JAPANESE JOURNAL OF APPLIED PHYSICS, 2016, 55 (04)
[3] Molecular Dynamics of Dipole Layer Formation at High-k/SiO2 Interface
Watanabe, Takanobu
SEMICONDUCTORS, DIELECTRICS, AND METALS FOR NANOELECTRONICS 15: IN MEMORY OF SAMARES KAR, 2017, 80 (01): : 313 - 325
[4] Dipole formation and electrical properties of high-k/SiO2 interface according to the density of SiO2 interfacial layer
Yun, Hye Won
Lee, Jinho
Kim, Ryun Na
Ji, Seung Hwan
Ryu, Sang Ouk
Kim, Woo-Byoung
CURRENT APPLIED PHYSICS, 2022, 37 : 45 - 51
[5] Driving force of oxygen-ion migration across high-k/SiO2 interface
Kunugi, Ryota
Nakagawa, Nobuhiro
Watanabe, Takanobu
APPLIED PHYSICS EXPRESS, 2017, 10 (03)
[6] Direct evaluation of electrical dipole moment and oxygen density ratio at high-k dielectrics/SiO2 interface by X-ray photoelectron spectroscopy analysis
Fujimura, Nobuyuki
Ohta, Akio
Ikeda, Mitsuhisa
Makihara, Katsunori
Miyazaki, Seiichi
JAPANESE JOURNAL OF APPLIED PHYSICS, 2018, 57 (04)
[7] Anomalous temperature dependence of Al2O3/SiO2 and Y2O3/SiO2 interface dipole layer strengths
Nittayakasetwat, Siri
Kita, Koji
JOURNAL OF APPLIED PHYSICS, 2019, 125 (08)
[8] Influence of SiO2 reduction on the local structural order and fluidity of molten coke ash in the high temperature zone of a blast furnace. A molecular dynamics simulation investigation
Li, Kejiang
Bouhadja, Mohammed
Khanna, Rita
Zhang, Jianliang
Liu, Zhengjian
Zhang, Yapeng
Yang, Tianjun
Sahajwalla, Veena
Yang, Yindong
Barati, Mansoor
FUEL, 2016, 186 : 561 - 570
[9] Molecular dynamics simulations on the structure and thermal property of SiO2/(LiCl-KCl) nanofluids for high temperature thermal energy storage
Tian, Heqing
Zhang, Wenguang
Kou, Zhaoyang
CERAMICS INTERNATIONAL, 2025, 51 (04) : 5125 - 5134
[10] Analysis of flatband voltage shift of metal/high-k/SiO2/Si stack based on energy band alignment of entire gate stack
Han Kai
Wang Xiao-Lei
Xu Yong-Gui
Yang Hong
Wang Wen-Wu
CHINESE PHYSICS B, 2014, 23 (11)

← 1 2 →