First-principles investigations of the dielectric properties of crystalline and amorphous Si3N4 thin films

被引：23

作者：

Pham, T. Anh ^{[1
]}

Li, Tianshu ^{[1
]}

Shankar, Sadasivan ^{[2
]}

Gygi, Francois ^{[3
,4
]}

Galli, Giulia ^{[1
,5
]}

机构：

[1] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA

[2] Intel Corp, Santa Clara, CA USA

[3] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA

[4] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA

[5] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA

来源：

APPLIED PHYSICS LETTERS | 2010年 / 96卷 / 06期

关键词：

ab initio calculations; amorphisation; density functional theory; dielectric thin films; optical constants; permittivity; silicon compounds; SILICON-NITRIDE; ELECTRONIC-STRUCTURE;

D O I：

10.1063/1.3303987

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We have investigated the dielectric properties of silicon nitride thin films with thickness below 6 nm, by using density functional theory calculations. We find a substantial decrease in the static dielectric constant of crystalline films, as their size is reduced. The variation in the response in proximity of the surface plays a key role in the observed decrease. In addition, amorphization of the films may bring further reduction of both the static and optical dielectric constants.

引用

页数：3

共 50 条

[31] First crystalline hexagonal Si3N4 microtubes
Lab. Anorgan. Chem. Univ., D-95440 Bayreuth, Germany
Adv Mater, 10 (844-847):
[32] AMORPHOUS SI3N4 WHISKERS CONTAINING A CRYSTALLINE CORE
IWANAGA, H
MOTOJIMA, S
ICHIHARA, M
TAKEUCHI, S
JOURNAL OF CRYSTAL GROWTH, 1990, 100 (1-2) : 271 - 274
[33] Stress Relaxation in Sandwiched Si3N4/Al/Si3N4 Thin Films
Chang, G. R.
Ma, F.
Ma, B.
Xu, K. W.
THERMEC 2009 SUPPLEMENT: 6TH INTERNATIONAL CONFERENCE ON PROCESSING & MANUFACTURING OF ADVANCED MATERIALS, 2010, 89-91 : 91 - +
[34] First-principles insights on mechanical and electronic properties of TiX (X = C, N) in β-Si3N4 based ceramics
Shanmugakunaar, Harsha Varthan
Veerappan, Nagarajan
Ramanathan, Chandiramouli
PROCESSING AND APPLICATION OF CERAMICS, 2016, 10 (03) : 153 - 160
[35] Amorphous precipitates in a crystalline matrix;: Precipitation of amorphous Si3N4 in α-Fe
Mittemeijer, EJ
Biglari, MH
Böttger, AJ
van der Pers, NM
Sloof, WG
Tichelaar, FD
SCRIPTA MATERIALIA, 1999, 41 (06) : 625 - 630
[36] First-Principles Investigation of Electronic Structural and Optical Properties of Rare Earth Doped β-Si3N4 Crystals
Qiu, Dong
Lu, Xuefeng
Li, Baihai
Wang, Hongjie
HIGH-PERFORMANCE CERAMICS VII, PTS 1 AND 2, 2012, 512-515 : 864 - +
[37] Investigation of electronic structures and optical properties of β-Si3N4 doped with IV A elements: A first-principles simulation
Lu, Xuefeng
Gao, Xu
Ren, Junqiang
Li, Cuixia
Guo, Xin
Wei, Yupeng
La, Peiqing
AIP ADVANCES, 2018, 8 (04):
[38] Effects of doping on photoelectrical properties of one-dimensional α-Si3N4 nanomaterials: A first-principles study
Xiong, Li
Dai, Jianhong
Song, Yan
Wen, Guangwu
Xia, Long
Wu, Xin
PHYSICA B-CONDENSED MATTER, 2018, 550 : 32 - 38
[39] Structural, electronic and energetic properties of water adsorbed on β-Si3N4 (0001) surface: First-principles calculations
Nisar, J.
Araujo, C. Moyses
Ahuja, R.
SURFACE SCIENCE, 2010, 604 (5-6) : 617 - 622
[40] Crystal Structure and Magnetic Property of Si3N4/FePd/Si3N4 Thin Films
Zhou Xin
Ma Lei
Liu Tao
Guo Yong-Bin
Wang Dao
Dong Pei-Lin
JOURNAL OF INORGANIC MATERIALS, 2018, 33 (08) : 909 - 913

← 1 2 3 4 5 →