Temperature- and Rate-Dependent Pathways in Formation of Metastable Silicon Phases under Rapid Decompression
Abstract
High-pressure metallic beta-Sn silicon (Si-II), depending on temperature, decompression rate, stress, etc., may transform to diverse metastable forms with promising semiconducting properties under decompression. However, the underlying mechanisms governing the different transformation paths are not well understood. Here, two distinctive pathways, viz., a thermally activated crystal-crystal transition and a mechanically driven amorphization, were characterized under rapid decompression of Si-II at various temperatures using in situ time-resolved x-ray diffraction. Under slow decompression, Si-II transforms to a crystalline bc8/r8 phase in the pressure range of 4.3-9.2 GPa through a thermally activated process where the overdepressurization and the onset transition strain are strongly dependent on decompression rate and temperature. In comparison, Si-II collapses structurally to an amorphous form at around 4.3 GPa when the volume expansion approaches a critical strain via rapid decompression beyond a threshold rate. The occurrence of the critical strain indicates a limit of the structural metastability of Si-II, which separates the thermally activated and mechanically driven transition processes. The results show the coupled effect of decompression rate, activation barrier, and thermal energy on the adopted transformation paths, providing atomistic insight into the competition between equilibrium and nonequilibrium pathways and the resulting metastable phases.
- Authors:
-
[1];
[2];
[2];
[1];
- Center for High Pressure Science and Technology Advanced Research, Beijing (China)
- Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- China Academy of Fluid Physics, Mianyang (China)
- Center for High Pressure Science and Technology Advanced Research, Beijing (China); Univ. of Saskatchewan, Saskatoon, SK (Canada)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; National Natural Science Foundation of China (NSFC); USDOE National Nuclear Security Administration (NNSA) - Office of Experimental Sciences; National Science Foundation (NSF); Japan Synchrotron Radiation Research Institute (JASRI)
- OSTI Identifier:
- 1686085
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 125; Journal Issue: 15; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Dynamical phase transitions; First order phase transitions; Pressure effects; Solid-solid transformations; Structural phase transition; Temperature; Amorphous materials; Elemental semiconductors; Compaction; Liquid nitrogen cooling; Pressure techniques; X-ray powder diffraction
Citation Formats
Lin, Chuanlong, Liu, Xuqiang, Yang, Dongliang, Li, Xiaodong, Smith, Jesse S., Wang, Bihan, Dong, Haini, Li, Shourui, Yang, Wenge, and Tse, John S. Temperature- and Rate-Dependent Pathways in Formation of Metastable Silicon Phases under Rapid Decompression. United States: N. p., 2020.
Web. doi:10.1103/physrevlett.125.155702.
Lin, Chuanlong, Liu, Xuqiang, Yang, Dongliang, Li, Xiaodong, Smith, Jesse S., Wang, Bihan, Dong, Haini, Li, Shourui, Yang, Wenge, & Tse, John S. Temperature- and Rate-Dependent Pathways in Formation of Metastable Silicon Phases under Rapid Decompression. United States. https://doi.org/10.1103/physrevlett.125.155702
Lin, Chuanlong, Liu, Xuqiang, Yang, Dongliang, Li, Xiaodong, Smith, Jesse S., Wang, Bihan, Dong, Haini, Li, Shourui, Yang, Wenge, and Tse, John S. Wed .
"Temperature- and Rate-Dependent Pathways in Formation of Metastable Silicon Phases under Rapid Decompression". United States. https://doi.org/10.1103/physrevlett.125.155702. https://www.osti.gov/servlets/purl/1686085.
@article{osti_1686085,
title = {Temperature- and Rate-Dependent Pathways in Formation of Metastable Silicon Phases under Rapid Decompression},
author = {Lin, Chuanlong and Liu, Xuqiang and Yang, Dongliang and Li, Xiaodong and Smith, Jesse S. and Wang, Bihan and Dong, Haini and Li, Shourui and Yang, Wenge and Tse, John S.},
abstractNote = {High-pressure metallic beta-Sn silicon (Si-II), depending on temperature, decompression rate, stress, etc., may transform to diverse metastable forms with promising semiconducting properties under decompression. However, the underlying mechanisms governing the different transformation paths are not well understood. Here, two distinctive pathways, viz., a thermally activated crystal-crystal transition and a mechanically driven amorphization, were characterized under rapid decompression of Si-II at various temperatures using in situ time-resolved x-ray diffraction. Under slow decompression, Si-II transforms to a crystalline bc8/r8 phase in the pressure range of 4.3-9.2 GPa through a thermally activated process where the overdepressurization and the onset transition strain are strongly dependent on decompression rate and temperature. In comparison, Si-II collapses structurally to an amorphous form at around 4.3 GPa when the volume expansion approaches a critical strain via rapid decompression beyond a threshold rate. The occurrence of the critical strain indicates a limit of the structural metastability of Si-II, which separates the thermally activated and mechanically driven transition processes. The results show the coupled effect of decompression rate, activation barrier, and thermal energy on the adopted transformation paths, providing atomistic insight into the competition between equilibrium and nonequilibrium pathways and the resulting metastable phases.},
doi = {10.1103/physrevlett.125.155702},
journal = {Physical Review Letters},
number = 15,
volume = 125,
place = {United States},
year = {Wed Oct 07 00:00:00 EDT 2020},
month = {Wed Oct 07 00:00:00 EDT 2020}
}
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Works referenced in this record:
The laser micro-machining system for diamond anvil cell experiments and general precision machining applications at the High Pressure Collaborative Access Team
journal, July 2015
- Hrubiak, Rostislav; Sinogeikin, Stanislav; Rod, Eric
- Review of Scientific Instruments, Vol. 86, Issue 7
Developments in time-resolved high pressure x-ray diffraction using rapid compression and decompression
journal, July 2015
- Smith, Jesse S.; Sinogeikin, Stanislav V.; Lin, Chuanlong
- Review of Scientific Instruments, Vol. 86, Issue 7
The Kinetics of some Pressure-Induced Transformations
journal, January 1985
- Singh, A. K.
- Materials Science Forum, Vol. 3
Experimental evidence for semiconducting behavior of Si-XII
journal, February 2011
- Ruffell, S.; Sears, K.; Knights, A. P.
- Physical Review B, Vol. 83, Issue 7
Amorphization and Conductivity of Silicon and Germanium Induced by Indentation
journal, May 1988
- Clarke, D. R.; Kroll, M. C.; Kirchner, P. D.
- Physical Review Letters, Vol. 60, Issue 21
High-pressure phases of group-IV, III–V, and II–VI compounds
journal, July 2003
- Mujica, A.; Rubio, Angel; Muñoz, A.
- Reviews of Modern Physics, Vol. 75, Issue 3
Structure and properties of silicon XII: A complex tetrahedrally bonded phase
journal, August 1995
- Piltz, R. O.; Maclean, J. R.; Clark, S. J.
- Physical Review B, Vol. 52, Issue 6
Online remote control systems for static and dynamic compression and decompression using diamond anvil cells
journal, July 2015
- Sinogeikin, Stanislav V.; Smith, Jesse S.; Rod, Eric
- Review of Scientific Instruments, Vol. 86, Issue 7
The difference of phase distributions in silicon after indentation with Berkovich and spherical indenters
journal, October 2005
- Zarudi, I.; Zhang, L. C.; Cheong, W. C. D.
- Acta Materialia, Vol. 53, Issue 18
BC8 Silicon (Si-III) is a Narrow-Gap Semiconductor
journal, April 2017
- Zhang, Haidong; Liu, Hanyu; Wei, Kaya
- Physical Review Letters, Vol. 118, Issue 14
Ab initio survey of the electronic structure of tetrahedrally bonded phases of silicon
journal, July 2008
- Malone, Brad D.; Sau, Jay D.; Cohen, Marvin L.
- Physical Review B, Vol. 78, Issue 3
Absence of amorphous forms when ice is compressed at low temperature
journal, May 2019
- Tulk, Chris A.; Molaison, Jamie J.; Makhluf, Adam R.
- Nature, Vol. 569, Issue 7757
Formation of an r8-Dominant Si Material
journal, March 2019
- Wong, S.; Haberl, B.; Johnson, B. C.
- Physical Review Letters, Vol. 122, Issue 10
Direct observation of amophization in load rate dependent nanoindentation studies of crystalline Si
journal, June 2010
- Das, C. R.; Dhara, S.; Jeng, Yeau-Ren
- Applied Physics Letters, Vol. 96, Issue 25
New developments in high-pressure X-ray diffraction beamline for diamond anvil cell at SPring-8
journal, January 2020
- Hirao, N.; Kawaguchi, S. I.; Hirose, K.
- Matter and Radiation at Extremes, Vol. 5, Issue 1
High-energy x-ray diffraction study of pure amorphous silicon
journal, November 1999
- Laaziri, Khalid; Kycia, S.; Roorda, S.
- Physical Review B, Vol. 60, Issue 19
Key issues for fabrication of high quality amorphous and microcrystalline silicon solar cells
journal, April 2006
- Kondo, M.; Matsui, T.; Nasuno, Y.
- Thin Solid Films, Vol. 501, Issue 1-2
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
journal, May 2015
- Prescher, Clemens; Prakapenka, Vitali B.
- High Pressure Research, Vol. 35, Issue 3
Onset Mechanism of Strain-Rate-Induced Flow Stress Upturn
journal, September 2012
- Fan, Yue; Osetsky, Yuri N.; Yip, Sidney
- Physical Review Letters, Vol. 109, Issue 13
Ab initio study of the optical properties of Si-XII
journal, October 2008
- Malone, Brad D.; Sau, Jay D.; Cohen, Marvin L.
- Physical Review B, Vol. 78, Issue 16
High pressure x-ray diffraction techniques with synchrotron radiation
journal, July 2016
- Liu, Jing
- Chinese Physics B, Vol. 25, Issue 7
Pressure-Induced Amorphization in Silicon Caused by the Impact of Electrosprayed Nanodroplets
journal, September 2010
- Gamero-Castaño, Manuel; Torrents, Anna; Valdevit, Lorenzo
- Physical Review Letters, Vol. 105, Issue 14
Kinetics of the B1-B2 phase transition in KCl under rapid compression
journal, January 2016
- Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.
- Journal of Applied Physics, Vol. 119, Issue 4
Amorphous silicon thin-film transistors on compliant polyimide foil substrates
journal, September 1999
- Gleskova, H.; Wagner, S.
- IEEE Electron Device Letters, Vol. 20, Issue 9
Pathways to exotic metastable silicon allotropes
journal, December 2016
- Haberl, Bianca; Strobel, Timothy A.; Bradby, Jodie E.
- Applied Physics Reviews, Vol. 3, Issue 4
Transmission electron microscopy observation of deformation microstructure under spherical indentation in silicon
journal, December 2000
- Bradby, J. E.; Williams, J. S.; Wong-Leung, J.
- Applied Physics Letters, Vol. 77, Issue 23
Equation of state and thermodynamic parameters of NaCl to 300 kbar in the high-temperature domain
journal, January 1986
- Birch, Francis
- Journal of Geophysical Research, Vol. 91, Issue B5
Amorphous silicon driver circuits for organic light-emitting diode displays
journal, July 2002
- Servati, P.; Prakash, S.; Nathan, A.
- Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 20, Issue 4
Mechanical instability in ice I h . A mechanism for pressure‐induced amorphization
journal, April 1992
- Tse, John S.
- The Journal of Chemical Physics, Vol. 96, Issue 7
Experimental evidence of new tetragonal polymorphs of silicon formed through ultrafast laser-induced confined microexplosion
journal, June 2015
- Rapp, L.; Haberl, B.; Pickard, C. J.
- Nature Communications, Vol. 6, Issue 1
Thermal stability of metastable silicon phases produced by nanoindentation
journal, March 2004
- Ge, Daibin; Domnich, Vladislav; Gogotsi, Yury
- Journal of Applied Physics, Vol. 95, Issue 5
Abnormal Strain Rate Sensitivity Driven by a Unit Dislocation-Obstacle Interaction in bcc Fe
journal, March 2018
- Bai, Zhitong; Fan, Yue
- Physical Review Letters, Vol. 120, Issue 12
Pressure-induced phase transition of crystalline and amorphous silicon and germanium at low temperatures
journal, January 1996
- Imai, Motoharu; Mitamura, Takeshi; Yaoita, Kenichi
- High Pressure Research, Vol. 15, Issue 3
Nonequilibrium phase transitions and amorphization in Si, Si/GaAs, Ge, and Ge/GaSb at the decompression of high-pressure phases
journal, March 1995
- Brazhkin, V. V.; Lyapin, A. G.; Popova, S. V.
- Physical Review B, Vol. 51, Issue 12
Two New Forms of Silicon
journal, January 1963
- Wentorf, R. H.; Kasper, J. S.
- Science, Vol. 139, Issue 3552
Phase Transition Pathway Sampling via Swarm Intelligence and Graph Theory
journal, July 2019
- Zhu, Li; Cohen, R. E.; Strobel, Timothy A.
- The Journal of Physical Chemistry Letters, Vol. 10, Issue 17
Experimental evidence of low-density liquid water upon rapid decompression
journal, February 2018
- Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 9
Effect of phase transformations on the shape of the unloading curve in the nanoindentation of silicon
journal, April 2000
- Domnich, Vladislav; Gogotsi, Yury; Dub, Sergey
- Applied Physics Letters, Vol. 76, Issue 16
Formation and growth of nanoindentation-induced high pressure phases in crystalline and amorphous silicon
journal, September 2007
- Ruffell, S.; Bradby, J. E.; Williams, J. S.
- Journal of Applied Physics, Vol. 102, Issue 6
Microstructures of phases in indented silicon: A high resolution characterization
journal, February 2003
- Zarudi, I.; Zou, J.; Zhang, L. C.
- Applied Physics Letters, Vol. 82, Issue 6
Kinetic Origin of Divergent Decompression Pathways in Silicon and Germanium
journal, April 2013
- Wang, Jian-Tao; Chen, Changfeng; Mizuseki, Hiroshi
- Physical Review Letters, Vol. 110, Issue 16
Mapping strain rate dependence of dislocation-defect interactions by atomistic simulations
journal, October 2013
- Fan, Y.; Osetskiy, Y. N.; Yip, S.
- Proceedings of the National Academy of Sciences, Vol. 110, Issue 44
Observation, analysis, and simulation of the hysteresis of silicon using ultra-micro-indentation with spherical indenters
journal, April 1993
- Weppelmann, E. R.; Field, J. S.; Swain, M. V.
- Journal of Materials Research, Vol. 8, Issue 4
Temperature and Strain-Rate Dependence of Surface Dislocation Nucleation
journal, January 2008
- Zhu, Ting; Li, Ju; Samanta, Amit
- Physical Review Letters, Vol. 100, Issue 2
Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice
journal, September 2017
- Lin, Chuanlong; Yong, Xue; Tse, John S.
- Physical Review Letters, Vol. 119, Issue 13
Thermal evolution of the metastable r8 and bc8 polymorphs of silicon
journal, January 2015
- Haberl, Bianca; Guthrie, Malcolm; Sinogeikin, Stanislav V.
- High Pressure Research, Vol. 35, Issue 2
Venture into Water’s No Man’s Land: Structural Transformations of Solid under Rapid Compression and Decompression
journal, November 2018
- Lin, Chuanlong; Smith, Jesse S.; Liu, Xuqiang
- Physical Review Letters, Vol. 121, Issue 22
Reversible pressure-induced structural transitions between metastable phases of silicon
journal, November 1994
- Crain, J.; Ackland, G. J.; Maclean, J. R.
- Physical Review B, Vol. 50, Issue 17
New metastable phases of silicon
journal, September 1986
- Zhao, You-Xiang; Buehler, Fred; Sites, James R.
- Solid State Communications, Vol. 59, Issue 10