砷化镓晶体力学特性的各向异性计算

doi:10.15541/jim20200507

无机材料学报 ›› 2021, Vol. 36 ›› Issue (6): 645-651.DOI: 10.15541/jim20200507

所属专题：【虚拟专辑】计算材料

砷化镓晶体力学特性的各向异性计算

董康佳¹(), 姜晨¹(), 任绍彬², 郎小虎², 高睿¹, 叶卉¹

1.上海理工大学机械工程学院, 上海 200093
2.上海微高精密机械工程有限公司, 上海 201203

收稿日期:2020-08-28 修回日期:2020-10-15 出版日期:2021-06-20 网络出版日期:2020-12-10
通讯作者: 姜晨, 教授. E-mail: jc_bati@163.com
作者简介:董康佳(1997-), 男, 硕士研究生. E-mail: 1967188330@qq.com
基金资助:
国家自然科学基金(51475310);上海市青年科技英才扬帆计划项目(18YF1417700)

Anisotropic Calculation of Mechanical Property of GaAs Crystal

DONG Kangjia¹(), JIANG Chen¹(), REN Shaobin², LANG Xiaohu², GAO Rui¹, YE Hui¹

1. College of Mechanical Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China
2. Shanghai Nanpre Mechanics Co. Ltd., Shanghai 201203, China

Received:2020-08-28 Revised:2020-10-15 Published:2021-06-20 Online:2020-12-10
Contact: JIANG Chen, professor. E-mail: jc_bati@163.com
About author:DONG Kangjia(1997-), male, Master candidate. E-mail: 1967188330@qq.com
Supported by:
National Natural Science Foundation of China(51475310);Shanghai Sailing Program(18YF1417700)

摘要/Abstract

摘要：

砷化镓因其良好的光电特性被广泛应用于电子与半导体领域, 为推动砷化镓解理加工技术, 对砷化镓材料力学特性的各向异性进行计算并分析。本研究对砷化镓各个晶面之间的夹角、面间距、原子的密度等结构参数进行计算, 基于广义胡克定律结合压痕实验, 分析砷化镓材料表层弹性模量、泊松比、剪切模量、硬度、断裂韧性等力学特性在{100}晶面沿不同晶向力学性能的变化规律。结果表明: 砷化镓不同晶面间结构参数的不同是导致砷化镓力学特性呈现各向异性的主要原因; 砷化镓在{100}晶面上弹性模量、泊松比、剪切模量的各向异性均呈现出周期性变化, 且{100}晶面的剪切模量为恒值59.4 GPa; 砷化镓{100}晶面硬度的各向异性变化幅度较小, 断裂韧性变化幅度较大, 最小值为0.304 MPa·m^1/2, 位于<110>晶向, 确定<110>晶向是裂纹最容易扩展的晶向。

关键词: 砷化镓, 力学特性, 各向异性, 压痕实验

Abstract:

Gallium arsenide possesses excellent photoelectric property which have been widely used in electron and semiconductor industries. To promote the cleavage manufacturing technology of gallium arsenide, the anisotropy of mechanical property of gallium arsenide is calculated in this work. The structural parameters, such as angle between the crystal planes, the spacing between planes and density of atoms, were calculated. The change rule of elastic modulus, Poisson’s ratio, shear modulus, hardness and fracture toughness of monocrystalline gallium arsenide on crystal {100} plane with crystal orientation was analyzed by generalized Hooke’s law and indentation tests. The results show that difference of structural parameters between planes is the main reason for the anisotropy of mechanical properties of GaAs. With variation of crystal orientation, the elastic modulus and Poisson’s ratio on the {100} crystal plane appear periodic changes, while shear modulus is identically equal to 59.4 GPa. Anisotropy of GaAs {100} crystal plane hardness changes slightly while fracture toughness changes greatly with a minimum value of 0.304 MPa·m^1/2 in <110> crystal direction which is sensitive to the crack propagation.

Key words: gallium arsenide, mechanical property, anisotropy, indentation test

中图分类号:

O733

董康佳, 姜晨, 任绍彬, 郎小虎, 高睿, 叶卉. 砷化镓晶体力学特性的各向异性计算[J]. 无机材料学报, 2021, 36(6): 645-651.

DONG Kangjia, JIANG Chen, REN Shaobin, LANG Xiaohu, GAO Rui, YE Hui. Anisotropic Calculation of Mechanical Property of GaAs Crystal[J]. Journal of Inorganic Materials, 2021, 36(6): 645-651.

图/表 10

图1 砷化镓结构及主要晶面示意图

Fig. 1 Structure and main crystal plane of GaAs (a) GaAs crystal structure; (b) GaAs (100) plane; (c) GaAs (110) plane; (d) GaAs (111) plane

图2 砷化镓各晶面原子分布结构图

Fig. 2 Atomic distribution structure of each crystal plane of GaAs (a) GaAs (100) plane; (b) GaAs (110) plane; (c) GaAs (111) plane

图3 向量示意图

Fig. 3 Vector diagram

表1 砷化镓材料参数[10]

Table 1 GaAs material parameters[10]

Mechanical parameters of GaAs	S₁₁/ (×10^-12, Pa^-1)	S₁₂/ (×10^-12, Pa^-1)	S₄₄/ (×10^-12, Pa^-1)
Value	11.7	3.7	16.8

图4 砷化镓弹性模量

Fig. 4 Elastic modulus of gallium arsenide (a) Single lattice elastic modulus of GaAs; (b) Elastic modulus of GaAs (100) plane

图5 砷化镓泊松比

Fig. 5 Poisson’s ratio of gallium arsenide (a) Lattice Poisson’s ratio of GaAs; (b) Poisson’s ratio of GaAs (100) plane

图6 砷化镓剪切模量

Fig. 6 Shear modulus of gallium arsenide (a) Shear modulus of GaAs spatial lattice; (b) Shear modulus of GaAs (100) plane

图7 砷化镓压痕形貌

Fig. 7 Indentation morphologies of gallium arsenide

图8 砷化镓维氏硬度和断裂韧性

Fig. 8 Vickers hardness and fracture toughness of gallium arsenide

表2 断裂韧性和维氏硬度[7,8,9,10]

Table 2 Vickers hardness and fracture toughness[7,8,9,10]

Data source	Hardness/GPa	K_IC/(MPa·m^1/2)	Comments
Chen, et al^[7]	5.27-5.45	0.482-0.579	<110> and <100> crystal direction measured by different loads
Xu, et al^[8]	6-10	-	Measured by different loads
Ponraj, et al^[9]	8.2-10.4	-	Measured by different loads
Hjort, et al^[10]	7	0.44	Average value
This work	5.69-6.21	0.30-0.60	Measured by single loads and different crystal orientations

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砷化镓晶体力学特性的各向异性计算

Anisotropic Calculation of Mechanical Property of GaAs Crystal

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