Thermal evolution of the metastable r8 and bc8 polymorphs of silicon

Haberl, Bianca; Guthrie, Malcolm; Sinogeikin, Stanislav V.; Shen, Guoyin; Williams, James S.; Bradby, Jodie E.

doi:10.1080/08957959.2014.1003555

Thermal evolution of the metastable r8 and bc8 polymorphs of silicon

Journal Article · Tue Jan 27 23:00:00 EST 2015 · High Pressure Research

DOI:https://doi.org/10.1080/08957959.2014.1003555· OSTI ID:1286830

Haberl, Bianca ^[1]; Guthrie, Malcolm ^[2]; Sinogeikin, Stanislav V. ^[3]; Shen, Guoyin ^[3]; Williams, James S. ^[1]; Bradby, Jodie E. ^[1]

Australian National Univ., Canberra, ACT (Australia)
Carnegie Inst. of Science, Washington, DC (United States)
Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab.

The kinetics of two metastable polymorphs of silicon under thermal annealing was investigated. These phases with body-centered cubic bc8 and rhombohedral r8 structures can be formed upon pressure release from metallic silicon.We study these metastable polymorphs were formed by two different methods, via point loading and in a diamond anvil cell (DAC). Upon thermal annealing different transition pathways were detected. In the point loading case, the previously reported Si-XIII formed and was confirmed as a new phase with an as-yet-unidentified structure. In the DAC case, bc8-Si transformed to the hexagonal-diamond structure at elevated pressure, consistent with previous studies at ambient pressure. In contrast, r8-Si transformed directly to diamond-cubic Si at a temperature of 255⁰C. In conclusion, these data were used to construct diagrams of the metastability regimes of the polymorphs formed in a DAC and may prove useful for potential technological applications of these metastable polymorphs.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source; Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725; SC0001057

OSTI ID:: 1286830

Alternate ID(s):: OSTI ID: 1210776
OSTI ID: 1178822

Journal Information:: High Pressure Research, Journal Name: High Pressure Research Journal Issue: 2 Vol. 35; ISSN 0895-7959

Publisher:: Taylor & FrancisCopyright Statement

Country of Publication:: United States

Language:: English

References (41)

Raman microspectroscopy of nanocrystalline and amorphous phases in hardness indentations Kailer, Andreas; Nickel, Klaus G.; Gogotsi, Yury G. Journal of Raman Spectroscopy, Vol. 30, Issue 10 https://doi.org/10.1002/(SICI)1097-4555(199910)30:10<939::AID-JRS460>3.0.CO;2-C	journal	October 1999
Amorphization from the quenched high-pressure phase of silicon and germanium Imai, Motoharu; Yaoita, Kenichi; Katayama, Yoshinori Journal of Non-Crystalline Solids, Vol. 150, Issue 1-3 https://doi.org/10.1016/0022-3093(92)90093-Y	journal	November 1992
Pressure induced phase transitions in silicon, germanium and some III–V compounds Minomura, S.; Drickamer, H. G. Journal of Physics and Chemistry of Solids, Vol. 23, Issue 5 https://doi.org/10.1016/0022-3697(62)90085-9	journal	May 1962
New metastable phases of silicon Zhao, You-Xiang; Buehler, Fred; Sites, James R. Solid State Communications, Vol. 59, Issue 10 https://doi.org/10.1016/0038-1098(86)90372-8	journal	September 1986
Structural phase transitions in Si and Ge under pressures up to 50 GPa Olijnyk, H.; Sikka, S. K.; Holzapfel, W. B. Physics Letters A, Vol. 103, Issue 3 https://doi.org/10.1016/0375-9601(84)90219-6	journal	June 1984
Tetragonal Allotrope of Group 14 Elements Zhao, Zhisheng; Tian, Fei; Dong, Xiao Journal of the American Chemical Society, Vol. 134, Issue 30 https://doi.org/10.1021/ja304380p	journal	July 2012
Direct Band Gap Silicon Allotropes Wang, Qianqian; Xu, Bo; Sun, Jian Journal of the American Chemical Society, Vol. 136, Issue 28 https://doi.org/10.1021/ja5035792	journal	July 2014
High-pressure experiments and the phase diagram of lower mantle and core materials Boehler, R. Reviews of Geophysics, Vol. 38, Issue 2 https://doi.org/10.1029/1998RG000053	journal	May 2000
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions Mao, H. K.; Xu, J.; Bell, P. M. Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676 https://doi.org/10.1029/JB091iB05p04673	journal	January 1986
Indentation hardness and semiconductor–metal transition of germanium and silicon Gerk, Alvin P.; Tabor, David Nature, Vol. 271, Issue 5647 https://doi.org/10.1038/271732a0	journal	February 1978
Transmission electron microscopy observation of deformation microstructure under spherical indentation in silicon Bradby, J. E.; Williams, J. S.; Wong-Leung, J. Applied Physics Letters, Vol. 77, Issue 23 https://doi.org/10.1063/1.1332110	journal	December 2000
Thermal stability of metastable silicon phases produced by nanoindentation Ge, Daibin; Domnich, Vladislav; Gogotsi, Yury Journal of Applied Physics, Vol. 95, Issue 5 https://doi.org/10.1063/1.1642739	journal	March 2004
Annealing of nanoindentation-induced high pressure crystalline phases created in crystalline and amorphous silicon Ruffell, S.; Haberl, B.; Koenig, S. Journal of Applied Physics, Vol. 105, Issue 9 https://doi.org/10.1063/1.3124366	journal	May 2009
Room temperature writing of electrically conductive and insulating zones in silicon by nanoindentation Ruffell, S.; Sears, K.; Bradby, J. E. Applied Physics Letters, Vol. 98, Issue 5 https://doi.org/10.1063/1.3549191	journal	January 2011
The argon melting curve to very high pressures Zha, C‐S.; Boehler, R.; Young, D. A. The Journal of Chemical Physics, Vol. 85, Issue 2 https://doi.org/10.1063/1.451295	journal	July 1986
Temperature-induced ruby fluorescence shifts up to a pressure of 15 GPa in an externally heated diamond anvil cell Rekhi, Sandeep; Dubrovinsky, Leonid; Saxena, Surendra High Temperatures-High Pressures, Vol. 31, Issue 3 https://doi.org/10.1068/htrt161	journal	January 1999
New anvil designs in diamond-cells Boehler, Reinhard; De Hantsetters, Koen High Pressure Research, Vol. 24, Issue 3 https://doi.org/10.1080/08957950412331323924	journal	September 2004
Two-dimensional detector software: From real detector to idealised image or two-theta scan Hammersley, A. P.; Svensson, S. O.; Hanfland, M. High Pressure Research, Vol. 14, Issue 4-6, p. 235-248 https://doi.org/10.1080/08957959608201408	journal	January 1996
Pressure-induced phase transition of crystalline and amorphous silicon and germanium at low temperatures Imai, Motoharu; Mitamura, Takeshi; Yaoita, Kenichi High Pressure Research, Vol. 15, Issue 3 https://doi.org/10.1080/08957959608240470	journal	January 1996
Hydrostatic limits of 11 pressure transmitting media Klotz, S.; Chervin, J-C.; Munsch, P. Journal of Physics D: Applied Physics, Vol. 42, Issue 7, Article No. 075413 https://doi.org/10.1088/0022-3727/42/7/075413	journal	March 2009
Experimental study of the crystal stability and equation of state of Si to 248 GPa Duclos, Steven J.; Vohra, Yogesh K.; Ruoff, Arthur L. Physical Review B, Vol. 41, Issue 17 https://doi.org/10.1103/PhysRevB.41.12021	journal	June 1990
New high-pressure phase of Si McMahon, M. I.; Nelmes, R. J. Physical Review B, Vol. 47, Issue 13 https://doi.org/10.1103/PhysRevB.47.8337	journal	April 1993
Pressure dependence of the Imma phase of silicon McMahon, M. I.; Nelmes, R. J.; Wright, N. G. Physical Review B, Vol. 50, Issue 2 https://doi.org/10.1103/PhysRevB.50.739	journal	July 1994
Structure and properties of silicon XII: A complex tetrahedrally bonded phase Piltz, R. O.; Maclean, J. R.; Clark, S. J. Physical Review B, Vol. 52, Issue 6 https://doi.org/10.1103/PhysRevB.52.4072	journal	August 1995
In situ electrical characterization of phase transformations in Si during indentation Bradby, J. E.; Williams, J. S.; Swain, M. V. Physical Review B, Vol. 67, Issue 8 https://doi.org/10.1103/PhysRevB.67.085205	journal	February 2003
In situ x-ray diffraction study of silicon at pressures up to 15.5 GPa and temperatures up to 1073 K Voronin, G. A.; Pantea, C.; Zerda, T. W. Physical Review B, Vol. 68, Issue 2 https://doi.org/10.1103/PhysRevB.68.020102	journal	July 2003
Experimental evidence for semiconducting behavior of Si-XII Ruffell, S.; Sears, K.; Knights, A. P. Physical Review B, Vol. 83, Issue 7 https://doi.org/10.1103/PhysRevB.83.075316	journal	February 2011
Controlled formation of metastable germanium polymorphs Haberl, Bianca; Guthrie, Malcolm; Malone, Brad D. Physical Review B, Vol. 89, Issue 14 https://doi.org/10.1103/PhysRevB.89.144111	journal	April 2014
High-Pressure Core Structures of Si Nanoparticles for Solar Energy Conversion Wippermann, S.; Vörös, M.; Rocca, D. Physical Review Letters, Vol. 110, Issue 4 https://doi.org/10.1103/PhysRevLett.110.046804	journal	January 2013
Raman Scattering from Phonons in Polymorphs of Si and Ge Kobliska, R. J.; Solin, S. A.; Selders, M. Physical Review Letters, Vol. 29, Issue 11 https://doi.org/10.1103/PhysRevLett.29.725	journal	September 1972
Electrical properties of semimetallic silicon III and semiconductive silicon IV at ambient pressure Besson, J. M.; Mokhtari, E. H.; Gonzalez, J. Physical Review Letters, Vol. 59, Issue 4 https://doi.org/10.1103/PhysRevLett.59.473	journal	July 1987
Amorphization and Conductivity of Silicon and Germanium Induced by Indentation Clarke, D. R.; Kroll, M. C.; Kirchner, P. D. Physical Review Letters, Vol. 60, Issue 21 https://doi.org/10.1103/PhysRevLett.60.2156	journal	May 1988
Raman scattering in metallic Si and Ge up to 50 GPa Olijnyk, Helmut Physical Review Letters, Vol. 68, Issue 14 https://doi.org/10.1103/PhysRevLett.68.2232	journal	April 1992
Crystal Structure of the High-Pressure Phase Silicon VI Hanfland, M.; Schwarz, U.; Syassen, K. Physical Review Letters, Vol. 82, Issue 6 https://doi.org/10.1103/PhysRevLett.82.1197	journal	February 1999
Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups Aroyo, Mois I.; Kirov, Asen; Capillas, Cesar Acta Crystallographica Section A Foundations of Crystallography, Vol. 62, Issue 2 https://doi.org/10.1107/S0108767305040286	journal	March 2006
The crystal structures of new forms of silicon and germanium Kasper, J. S.; Richards, S. M. Acta Crystallographica, Vol. 17, Issue 6 https://doi.org/10.1107/S0365110X64001840	journal	June 1964
Preparation of transmission electron microscopy cross-section specimens using focused ion beam milling Langford, R. M.; Petford-Long, A. K. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 19, Issue 5 https://doi.org/10.1116/1.1378072	journal	September 2001
Two New Forms of Silicon Wentorf, R. H.; Kasper, J. S. Science, Vol. 139, Issue 3552 https://doi.org/10.1126/science.139.3552.338-a	journal	January 1963
Crystal Structures at High Pressures of Metallic Modifications of Silicon and Germanium Jamieson, J. C. Science, Vol. 139, Issue 3556 https://doi.org/10.1126/science.139.3556.762	journal	February 1963
Hexagonal (Wurtzite) Silicon Kasper, J. S.; Wentorf, R. H. Science, Vol. 197, Issue 4303 https://doi.org/10.1126/science.197.4303.599	journal	August 1977
Topology of the pyroxenes as a function of temperature, pressure, and composition as determined from the procrystal electron density Downs, Robert T. American Mineralogist, Vol. 88, Issue 4 https://doi.org/10.2138/am-2003-0409	journal	April 2003

Cited By (5)

Developments in time-resolved high pressure x-ray diffraction using rapid compression and decompression Smith, Jesse S.; Sinogeikin, Stanislav V.; Lin, Chuanlong Review of Scientific Instruments, Vol. 86, Issue 7 https://doi.org/10.1063/1.4926887	journal	July 2015
In-situ high temperature micro-Raman investigation of annealing behavior of high-pressure phases of Si Mannepalli, Sowjanya; Mangalampalli, Kiran S. R. N. Journal of Applied Physics, Vol. 125, Issue 22 https://doi.org/10.1063/1.5099325	journal	June 2019
Thermal evolution of the indentation-induced phases of silicon Wong, S.; Johnson, B. C.; Haberl, B. Journal of Applied Physics, Vol. 126, Issue 10 https://doi.org/10.1063/1.5108751	journal	September 2019
Shear-driven phase transformation in silicon nanowires Vincent, L.; Djomani, D.; Fakfakh, M. Nanotechnology, Vol. 29, Issue 12 https://doi.org/10.1088/1361-6528/aaa738	journal	February 2018
High-pressure studies with x-rays using diamond anvil cells Shen, Guoyin; Mao, Ho Kwang Reports on Progress in Physics, Vol. 80, Issue 1 https://doi.org/10.1088/1361-6633/80/1/016101	journal	November 2016

Similar Records

Formation of an r8-Dominant Si Material

Journal Article · Mon Mar 11 00:00:00 EDT 2019 · Physical Review Letters · OSTI ID:1559717

Pressure-driven density match nucleates metastable r8 phases from amorphous Si and Ge

Journal Article · Mon Aug 18 00:00:00 EDT 2025 · Materials Today · OSTI ID:3002502

Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon

Journal Article · Wed Jan 24 23:00:00 EST 2024 · Journal of Physical Chemistry Letters · OSTI ID:2316113

Related Subjects

36 MATERIALS SCIENCE
in situ annealing
metastable polymorphs
pressure-induced transitions
silicon

Thermal evolution of the metastable r8 and bc8 polymorphs of silicon

Citation Formats

References (41)

Cited By (5)

Similar Records

Related Subjects