Generalized Stacking Fault Energies of Diamond and Silicon under ⟨111⟩ Uniaxial Loading

Generalized Stacking Fault Energies of Diamond and Silicon under ⟨111⟩ Uniaxial Loading

Lili HUANG1, Li PENG1, Shi CHEN1, Hongping ZHANG2, Mu LI1^,*

Chinese Journal of High Pressure Physics | 2024, 38(3) : 030107-1 - 030107-10

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Chinese Journal of High Pressure Physics | 2024, 38(3): 030107-1-030107-10

• Topics on Multiscale Structure and Physical Properties of Materials under Dynamic Loading •

Generalized Stacking Fault Energies of Diamond and Silicon under ⟨111⟩ Uniaxial Loading

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Lili HUANG1, Li PENG1, Shi CHEN1, Hongping ZHANG2, Mu LI1^,*

Affiliations

¹College of Engineering Physics, Center for Intense Laser Application Technology, Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology, Shenzhen Technology University, Shenzhen 518118, Guangdong, China

²College of Big Data and Internet, Shenzhen Technology University, Shenzhen 518118, Guangdong, China

Published: 2024-06-05 doi: 10.11858/gywlxb.20240765

Outline

Abstract

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The energy caused by atomic level shear in a crystal is called generalized fault energy (GSFE), This is an important material property for describing nanoscale plastic phenomena in crystalline materials, such as dislocation decomposition, nucleation, and twinning. During the shock loading process, the elastoplastic transition occurs after one-dimensional elastic strain, so the generalized stacking fault energy is of great signiﬁcance in understanding the occurrence of plastic ﬂow. Here, we calculate the generalized GSFE surface of glide (111) surface of silicon and diamond under uniaxial strain in [111] direction by using the ﬁrst principles of density functional theory. Based on the translation symmetry of GSFE surface, we ﬁt the GSFE surface expression obtained by Fourier series expansion and the generalized stacking fault energy curves for the $ [{\overline{1}10}] $ (111) and $ [ 11\overline{2}]$ (111) directions are given. With the increase of strain, the intrinsic fault energy (γ_I) and the unstable fault energy (γ_us) have obvious changes, and the ratio of the unstable stacking fault energy to the intrinsic stacking fault energy (γ_us/γ_I) decreases indicating that dislocations in crystals are not easily decomposed under uniaxial strain in the $ \left\langle{111}\right\rangle $ direction. This result explains the results of dynamic experiments of dislocation evolution at four generations of light sources that the speed and strength of fault signals loaded along $ \left\langle{111}\right\rangle $ direction are much lower than those loaded along $ \left\langle{110}\right\rangle $ direction and $ \left\langle{100}\right\rangle $ direction.

Key words

generalized stacking fault energy / first principle calculations / shock loading / dislocation

Cite this Article

黄丽丽, 彭丽, 陈实, 张红平, 李牧. 〈111〉方向单轴应变下金刚石和硅的广义层错能. 高压物理学报, 2024 , 38 (3) : 030107-1 -030107-10 . DOI: 10.11858/gywlxb.20240765

Lili HUANG, Li PENG, Shi CHEN, Hongping ZHANG, Mu LI. Generalized Stacking Fault Energies of Diamond and Silicon under ⟨111⟩ Uniaxial Loading[J]. Chinese Journal of High Pressure Physics, 2024 , 38 (3) : 030107-1 -030107-10 . DOI: 10.11858/gywlxb.20240765

Appendix

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Year 2024 volume 38 Issue 3

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Article Info

doi: 10.11858/gywlxb.20240765

Receive Date：2024-03-28
Online Date：2026-11-06
Published：2024-06-05

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History

Received：2024-03-28
Revised：2024-04-16

Affiliations

²College of Big Data and Internet, Shenzhen Technology University, Shenzhen 518118, Guangdong, China

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表12种不同金属材料的力学参数

科 Family	属数 Number of genus	种数 Number of species	占总种数比例 Percentage of total species (%)	属 Genus	种数 Number of species	占总种数比例 Percentage of total species (%)
鹅膏菌科Amanitaceae	2	11	5.26	鹅膏菌属 Amanita	10	4.78
小菇科 Mycenaceae	2	12	5.74	丝盖伞属 Inocybe	5	2.39
多孔菌科 Polyporaceae	8	14	6.70	蜡蘑属 Laccaria	5	2.39
红菇科 Russulaceae	3	23	11.00	小皮伞属 Marasmius	6	2.87
				小菇属 Mycena	11	5.26
				光柄菇属 Pluteus	5	2.39
				红菇属 Russula	17	8.13
				栓菌属 Trametes	5	2.39

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