skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Pathways to exotic metastable silicon allotropes

Abstract

The Group 14 element silicon possesses a complex free-energy landscape with many (local) minima, allowing for the formation of a variety of unusual structures, some of which may be stabilized at ambient conditions. Such exotic silicon allotropes represent a significant opportunity to address the ever-increasing demand for novel materials with tailored functionality since these exotic forms are expected to exhibit superlative properties including optimized band gaps for solar power conversion. The application of pressure is a well-recognized and uniquely powerful method to access exotic states of silicon since it promotes large changes to atomic bonding. Conventional high-pressure syntheses, however, lack the capability to access many of these local minima and only four forms of exotic silicon allotropes have been recovered over the last 50 years. However, more recently, signifi- cant advances in high pressure methodologies and the use of novel precursor materials have yielded at least three more recoverable exotic Si structures. This review aims to give an overview of these innovative methods of high-pressure application and precursor selection and the recent discoveries of new Si allotropes. The background context of the conventional pressure methods and multitude of predicted new phases are also provided. Furthermore, this review also offers amore » perspective for possible access to many further exotic functional allotropes not only of silicon but also of other materials, in a technologically feasible manner« less

Authors:
ORCiD logo [1];  [2];  [3]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Carnegie Institution of Washington, Washington, D.C. (United States)
  3. The Australian National Univ., Canberra (Australia)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1334483
Alternate Identifier(s):
OSTI ID: 1349134
Grant/Contract Number:  
AC05-00OR22725; SC0001057
Resource Type:
Accepted Manuscript
Journal Name:
Applied Physics Reviews
Additional Journal Information:
Journal Volume: 3; Journal Issue: 4; Journal ID: ISSN 1931-9401
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; silicon; high pressure; crystal structure; band gap; clathrates

Citation Formats

Haberl, Bianca, Strobel, Timothy A., and Bradby, Jodie E. Pathways to exotic metastable silicon allotropes. United States: N. p., 2016. Web. doi:10.1063/1.4962984.
Haberl, Bianca, Strobel, Timothy A., & Bradby, Jodie E. Pathways to exotic metastable silicon allotropes. United States. doi:10.1063/1.4962984.
Haberl, Bianca, Strobel, Timothy A., and Bradby, Jodie E. Tue . "Pathways to exotic metastable silicon allotropes". United States. doi:10.1063/1.4962984. https://www.osti.gov/servlets/purl/1334483.
@article{osti_1334483,
title = {Pathways to exotic metastable silicon allotropes},
author = {Haberl, Bianca and Strobel, Timothy A. and Bradby, Jodie E.},
abstractNote = {The Group 14 element silicon possesses a complex free-energy landscape with many (local) minima, allowing for the formation of a variety of unusual structures, some of which may be stabilized at ambient conditions. Such exotic silicon allotropes represent a significant opportunity to address the ever-increasing demand for novel materials with tailored functionality since these exotic forms are expected to exhibit superlative properties including optimized band gaps for solar power conversion. The application of pressure is a well-recognized and uniquely powerful method to access exotic states of silicon since it promotes large changes to atomic bonding. Conventional high-pressure syntheses, however, lack the capability to access many of these local minima and only four forms of exotic silicon allotropes have been recovered over the last 50 years. However, more recently, signifi- cant advances in high pressure methodologies and the use of novel precursor materials have yielded at least three more recoverable exotic Si structures. This review aims to give an overview of these innovative methods of high-pressure application and precursor selection and the recent discoveries of new Si allotropes. The background context of the conventional pressure methods and multitude of predicted new phases are also provided. Furthermore, this review also offers a perspective for possible access to many further exotic functional allotropes not only of silicon but also of other materials, in a technologically feasible manner},
doi = {10.1063/1.4962984},
journal = {Applied Physics Reviews},
number = 4,
volume = 3,
place = {United States},
year = {2016},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 10 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Metallization of silicon in a shock wave: the metallization threshold and ultrahigh defect densities
journal, November 2004


Preparation of Diamond
journal, October 1959

  • Bovenkerk, H. P.; Bundy, F. P.; Hall, H. T.
  • Nature, Vol. 184, Issue 4693
  • DOI: 10.1038/1841094a0

First-principles studies of diamond polytypes
journal, March 2008


New high-pressure phase of Si
journal, April 1993


Na–Si binary phase diagram and solution growth of silicon crystals
journal, July 2009


Structural phase transitions in Si and Ge under pressures up to 50 GPa
journal, June 1984


High-pressure phases of group-IV, III–V, and II–VI compounds
journal, July 2003


Ab initio random structure searching
journal, January 2011


The deformation behavior of ceramic crystals subjected to very low load (nano)indentations
journal, February 1992

  • Page, Trevor F.; Oliver, Warren C.; McHargue, Carl J.
  • Journal of Materials Research, Vol. 7, Issue 2
  • DOI: 10.1557/JMR.1992.0450

Mechanical and electronic properties of Si, Ge and their alloys in P42/mnm structure
journal, March 2016


Wurtzite silicon as a potential absorber in photovoltaics: Tailoring the optical absorption by applying strain
journal, July 2015


Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si
journal, April 2016


Pressure dependence of the Imma phase of silicon
journal, July 1994


Synthesis of a cubic Ge3N4 phase at high pressures and temperatures
journal, September 1999

  • Serghiou, G.; Miehe, G.; Tschauner, O.
  • The Journal of Chemical Physics, Vol. 111, Issue 10
  • DOI: 10.1063/1.479227

Computer Modeling of a llo -Si and a llo -Ge Polymorphs
journal, April 2002

  • Conesa, José C.
  • The Journal of Physical Chemistry B, Vol. 106, Issue 13
  • DOI: 10.1021/jp014115g

Alkali Metals Extraction Reactions with the Silicides Li 15 Si 4 and Li 3 NaSi 6 : Amorphous Si versus allo -Si
journal, November 2014

  • Zeilinger, Michael; Jantke, Laura-Alice; Scherf, Lavinia M.
  • Chemistry of Materials, Vol. 26, Issue 22
  • DOI: 10.1021/cm503371e

The crystal structures of new forms of silicon and germanium
journal, June 1964


Ambient-Pressure Polymerization of Carbon Anions in the High-Pressure Phase Mg 2 C
journal, October 2015


Development of refractory ohmic contact materials for gallium arsenide compound semiconductors
journal, January 2002


A simple predictive model for spherical indentation
journal, February 1993


New evidence for a pressure-induced phase transformation during the indentation of silicon
journal, June 1991

  • Pharr, G. M.; Oliver, W. C.; Harding, D. S.
  • Journal of Materials Research, Vol. 6, Issue 6
  • DOI: 10.1557/JMR.1991.1129

Na-Si Clathrates Are High-Pressure Phases: A Melt-Based Route to Control Stoichiometry and Properties
journal, December 2012

  • Kurakevych, Oleksandr O.; Strobel, Timothy A.; Kim, Duck Young
  • Crystal Growth & Design, Vol. 13, Issue 1, p. 303-307
  • DOI: 10.1021/cg3017084

Synthesis of the Cubic Form of Boron Nitride
journal, March 1961

  • Wentorf, R. H.
  • The Journal of Chemical Physics, Vol. 34, Issue 3, p. 809-812
  • DOI: 10.1063/1.1731679

Low-Pressure, Metastable Growth of Diamond and "Diamondlike" Phases
journal, August 1988


Efficient route to phase selective synthesis of type II silicon clathrates with low sodium occupancy
journal, January 2014

  • Krishna, Lakshmi; Baranowski, Lauryn L.; Martinez, Aaron D.
  • CrystEngComm, Vol. 16, Issue 19
  • DOI: 10.1039/C3CE42626B

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
  • DOI: 10.1063/1.1642739

Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach
journal, March 2013


Dipole-allowed direct band gap silicon superlattices
journal, December 2015

  • Oh, Young Jun; Lee, In-Ho; Kim, Sunghyun
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep18086

A carbon phase that graphitizes at room temperature
journal, February 1997


Evidence for the R 8 Phase of Germanium
journal, February 2013


Effect of residual stresses on the stability of bct-5 silicon
journal, January 2014


An improved technique for determining hardness and elastic modulus using load and displacement sensing indentation experiments
journal, June 1992

  • Oliver, W. C.; Pharr, G. M.
  • Journal of Materials Research, Vol. 7, Issue 06, p. 1564-1583
  • DOI: 10.1557/JMR.1992.1564

First Principles Study of a New Large-Gap Nonoporous Silicon Crystal: Hex-S i 40
journal, October 1996


Novel Superhard Carbon: C-Centered Orthorhombic C 8
journal, November 2011


Diamond cells and new materials
journal, November 2005


Effect of phase transition in shock-recovered silicon
journal, January 2008

  • Kishimura, Hiroaki; Matsumoto, Hitoshi
  • Journal of Applied Physics, Vol. 103, Issue 2
  • DOI: 10.1063/1.2830805

Low-energy tetrahedral polymorphs of carbon, silicon, and germanium
journal, June 2015


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
  • DOI: 10.1557/JMR.1993.0830

Inorganic and methane clathrates: Versatility of guest–host compounds for energy harvesting
journal, January 2015

  • Krishna, Lakshmi; Koh, Carolyn A.
  • MRS Energy & Sustainability, Vol. 2
  • DOI: 10.1557/mre.2015.9

Crystal Structure of the High-Pressure Phase Silicon VI
journal, February 1999


Synthesis and revised structure of the Zintl phase Li7Ge12
journal, March 2011


Patterning of silicon by indentation and chemical etching
journal, September 2007

  • Rao, R.; Bradby, J. E.; Williams, J. S.
  • Applied Physics Letters, Vol. 91, Issue 12
  • DOI: 10.1063/1.2779111

Thermal evolution of the metastable r8 and bc8 polymorphs of silicon
journal, January 2015


Hypothetical low-energy chiral framework structure of group 14 elements
journal, January 2010


Theoretical stability limit of diamond at ultrahigh pressure
journal, December 1995


Phase transformations of silicon caused by contact loading
journal, April 1997

  • Kailer, A.; Gogotsi, Y. G.; Nickel, K. G.
  • Journal of Applied Physics, Vol. 81, Issue 7
  • DOI: 10.1063/1.364340

Direct Conversion of Graphite to Diamond in Static Pressure Apparatus
journal, February 1963

  • Bundy, F. P.
  • The Journal of Chemical Physics, Vol. 38, Issue 3
  • DOI: 10.1063/1.1733716

A guest-free germanium clathrate
journal, September 2006

  • Guloy, Arnold M.; Ramlau, Reiner; Tang, Zhongjia
  • Nature, Vol. 443, Issue 7109
  • DOI: 10.1038/nature05145

Uninodal 4-connected 3D nets. I. Nets without 3- or 4-rings
journal, September 1992

  • O'Keeffe, M.; Brese, N. E.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 48, Issue 5
  • DOI: 10.1107/S0108767392001260

Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
journal, June 2004

  • Goedecker, Stefan
  • The Journal of Chemical Physics, Vol. 120, Issue 21
  • DOI: 10.1063/1.1724816

Low-density silicon allotropes for photovoltaic applications
journal, July 2015


Experimental evidence for semiconducting behavior of Si-XII
journal, February 2011


A new crystalline phase of four-fold coordinated silicon and germanium
journal, August 2008


On the clathrate form of elemental silicon, Si136: preparation and characterisation of NaxSi136 (x→0)
journal, May 2004


Tetragonal Allotrope of Group 14 Elements
journal, July 2012

  • Zhao, Zhisheng; Tian, Fei; Dong, Xiao
  • Journal of the American Chemical Society, Vol. 134, Issue 30
  • DOI: 10.1021/ja304380p

Synthesis of superhard materials
journal, November 2005


Single-bonded cubic form of nitrogen
journal, July 2004

  • Eremets, Mikhail I.; Gavriliuk, Alexander G.; Trojan, Ivan A.
  • Nature Materials, Vol. 3, Issue 8
  • DOI: 10.1038/nmat1146

Phase transformation as the single-mode mechanical deformation of silicon
journal, June 2015

  • Wong, S.; Haberl, B.; Williams, J. S.
  • Applied Physics Letters, Vol. 106, Issue 25
  • DOI: 10.1063/1.4923205

Clathrate Structure of Silicon Na8Si46 and NaxSi136 (x < 11)
journal, December 1965


Crystal Structure of Cold Compressed Graphite
journal, February 2012


First-principles calculations of carbon clathrates: Comparison to silicon and germanium clathrates
journal, August 2010


Hexagonal Silicon Realized
journal, August 2015


High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na 30.5 Si 136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages
journal, May 2014

  • Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi
  • Journal of the American Chemical Society, Vol. 136, Issue 21
  • DOI: 10.1021/ja502733e

Experimental study of the crystal stability and equation of state of Si to 248 GPa
journal, June 1990


An extensive theoretical survey of low-density allotropy in silicon
journal, January 2010

  • Zwijnenburg, Martijn A.; Jelfs, Kim E.; Bromley, Stefan T.
  • Physical Chemistry Chemical Physics, Vol. 12, Issue 30
  • DOI: 10.1039/c004375c

First-principles study of Si 34 x Ge x clathrates: Direct wide-gap semiconductors in Si-Ge alloys
journal, September 2000


Annealing of nanoindentation-induced high pressure crystalline phases created in crystalline and amorphous silicon
journal, May 2009

  • Ruffell, S.; Haberl, B.; Koenig, S.
  • Journal of Applied Physics, Vol. 105, Issue 9
  • DOI: 10.1063/1.3124366

Large-volume diamond cells for neutron diffraction above 90 GPa
journal, August 2013


Novel silicon allotropes: Stability, mechanical, and electronic properties
journal, November 2015

  • Fan, Qingyang; Chai, Changchun; Wei, Qun
  • Journal of Applied Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.4935549

Prediction of a metastable phase of silicon in the Ibam structure
journal, January 2012


Amorphous silicon solar cell
journal, June 1976

  • Carlson, D. E.; Wronski, C. R.
  • Applied Physics Letters, Vol. 28, Issue 11
  • DOI: 10.1063/1.88617

New low-energy crystal structure for silicon
journal, August 1991


A New Dense Form of Solid Germanium
journal, January 1963


Crystal Structures at High Pressures of Metallic Modifications of Silicon and Germanium
journal, February 1963


Crystal structure of laser-induced subsurface modifications in Si
journal, June 2015


Hallow diamonds: stability and elastic properties
journal, October 1995


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
  • DOI: 10.1038/ncomms8555

Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications
journal, September 2012


New hopes for allotropes
journal, July 2015


sp3-Bonded silicon allotropes based on the Kelvin problem
journal, January 2013

  • Zhao, Hui-Yan; Wang, Jing; Ma, Qing-Min
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 40
  • DOI: 10.1039/c3cp50946j

Ab initio materials design using conformational space annealing and its application to searching for direct band gap silicon crystals
journal, June 2016


High-pressure phases of group IV and III-V semiconductors
journal, March 2001


Kinetic Origin of Divergent Decompression Pathways in Silicon and Germanium
journal, April 2013


High pressure–high temperature growth of diamond crystals using split sphere apparatus
journal, November 2005

  • Abbaschian, Reza; Zhu, Henry; Clarke, Carter
  • Diamond and Related Materials, Vol. 14, Issue 11-12, p. 1916-1919
  • DOI: 10.1016/j.diamond.2005.09.007

Indentation hardness and semiconductor–metal transition of germanium and silicon
journal, February 1978

  • Gerk, Alvin P.; Tabor, David
  • Nature, Vol. 271, Issue 5647
  • DOI: 10.1038/271732a0

Characterisation of Si III and Si IV, metastable forms of silicon at ambient pressure
journal, April 1989


The influence of hold time on the onset of plastic deformation in silicon
journal, December 2015

  • Wong, S.; Haberl, B.; Williams, J. S.
  • Journal of Applied Physics, Vol. 118, Issue 24
  • DOI: 10.1063/1.4938480

Review of advances in cubic boron nitride film synthesis
journal, December 1997

  • Mirkarimi, P. B.; McCarty, K. F.; Medlin, D. L.
  • Materials Science and Engineering: R: Reports, Vol. 21, Issue 2
  • DOI: 10.1016/S0927-796X(97)00009-0

High-Pressure Core Structures of Si Nanoparticles for Solar Energy Conversion
journal, January 2013


Novel Metastable Germanium Modifications allo -Ge and 4H-Ge from Li 7 Ge 12
journal, December 1982

  • Grüttner, Andreas; Nesper, Reinhard; von Schnering, Hans Georg
  • Angewandte Chemie International Edition in English, Vol. 21, Issue 12
  • DOI: 10.1002/anie.198209122

From zeolite nets to sp 3 carbon allotropes: a topology-based multiscale theoretical study
journal, January 2015

  • Baburin, Igor A.; Proserpio, Davide M.; Saleev, Vladimir A.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 2
  • DOI: 10.1039/C4CP04569F

What do we know about three-periodic nets?
journal, August 2005

  • Delgado-Friedrichs, Olaf; Foster, Martin D.; O’Keeffe, Michael
  • Journal of Solid State Chemistry, Vol. 178, Issue 8, p. 2533-2554
  • DOI: 10.1016/j.jssc.2005.06.037

Crystal-Liquid Phase Relations in Silicon at Negative Pressure
journal, April 2003


Electronic and optical properties of body-centered-tetragonal Si and Ge
journal, March 2010


High-resolution observations of an amorphous layer and subsurface damage formed by femtosecond laser irradiation of silicon
journal, March 2008

  • Crawford, T. H. R.; Yamanaka, J.; Botton, G. A.
  • Journal of Applied Physics, Vol. 103, Issue 5
  • DOI: 10.1063/1.2885111

Electrical properties of semimetallic silicon III and semiconductive silicon IV at ambient pressure
journal, July 1987


Electronic structure of ordered silicon alloys: Direct-gap systems
journal, November 1996


Hypothetical Carbon Modifications Derived from Zeolite Frameworks
journal, May 1993

  • Nesper, Reinhard; Vogel, Karlheinz; Blöchl, Peter E.
  • Angewandte Chemie International Edition in English, Vol. 32, Issue 5
  • DOI: 10.1002/anie.199307011

Isohedral simple tilings: binodal and by tiles with ≤16 faces
journal, April 2005

  • Delgado-Friedrichs, Olaf; O'Keeffe, Michael
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 61, Issue 3
  • DOI: 10.1107/S0108767305009578

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
  • DOI: 10.1063/1.4926887

Confined micro-explosion induced by ultrashort laser pulse at SiO2/Si interface
journal, November 2013


The Generation of Ultrahigh Hydrostatic Pressures by a Split Sphere Apparatus
journal, August 1970

  • Kawai, Naoto; Endo, Shoichi
  • Review of Scientific Instruments, Vol. 41, Issue 8
  • DOI: 10.1063/1.1684753

Metallic Hydrogen: A High-Temperature Superconductor?
journal, December 1968


Synthesis of cubic silicon nitride
journal, July 1999

  • Zerr, Andreas; Miehe, Gerhard; Serghiou, George
  • Nature, Vol. 400, Issue 6742
  • DOI: 10.1038/22493

Pressure induced phase transitions in silicon, germanium and some III–V compounds
journal, May 1962


The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets
journal, December 2008

  • O’Keeffe, Michael; Peskov, Maxim A.; Ramsden, Stuart J.
  • Accounts of Chemical Research, Vol. 41, Issue 12, p. 1782-1789
  • DOI: 10.1021/ar800124u

New optical transitions in strained Si-Ge superlattices
journal, September 1987


Hexagonal Diamond—A New Form of Carbon
journal, May 1967

  • Bundy, F. P.; Kasper, J. S.
  • The Journal of Chemical Physics, Vol. 46, Issue 9
  • DOI: 10.1063/1.1841236

sp 3 -hybridized framework structure of group-14 elements discovered by genetic algorithm
journal, May 2014


Generalized evolutionary metadynamics for sampling the energy landscapes and its applications
journal, July 2015


Ab initio survey of the electronic structure of tetrahedrally bonded phases of silicon
journal, July 2008


Raman microspectroscopy of nanocrystalline and amorphous phases in hardness indentations
journal, October 1999


Tubulanes: carbon phases based on cross-linked fullerene tubules
journal, August 1993


Prediction of New Low Compressibility Solids
journal, August 1989


Controlled formation of metastable germanium polymorphs
journal, April 2014


Intermetallic Crystal Structures as Foams. Beyond Frank–Kasper
journal, September 2014

  • Bonneau, Charlotte; O’Keeffe, Michael
  • Inorganic Chemistry, Vol. 54, Issue 3
  • DOI: 10.1021/ic5017966

Clathrates of Group 14 with Alkali Metals: An Exploration
journal, August 2000

  • Bobev, Svilen; Sevov, Slavi C.
  • Journal of Solid State Chemistry, Vol. 153, Issue 1
  • DOI: 10.1006/jssc.2000.8755

Ab initio study of the optical properties of Si-XII
journal, October 2008


Thermochemistry, Morphology, and Optical Characterization of Germanium Allotropes
journal, May 2014

  • Zaikina, Julia V.; Muthuswamy, Elayaraja; Lilova, Kristina I.
  • Chemistry of Materials, Vol. 26, Issue 10
  • DOI: 10.1021/cm5010467

Oxidation of M 4 Si 4 (M = Na, K) to Clathrates by HCl or H 2 O
journal, May 2007

  • Böhme, Bodo; Guloy, Arnold; Tang, Zhongjia
  • Journal of the American Chemical Society, Vol. 129, Issue 17
  • DOI: 10.1021/ja0705691

Expanded-volume phases of silicon: Zeolites without oxygen
journal, May 1996


Sphere Packings and Space Filling by Congruent Simple Polyhedra
journal, May 1998

  • O'Keeffe, M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 54, Issue 3
  • DOI: 10.1107/S0108767397017893

Synthesis of Cu−In−S Ternary Nanocrystals with Tunable Structure and Composition
journal, April 2008

  • Pan, Daocheng; An, Lijia; Sun, Zhongming
  • Journal of the American Chemical Society, Vol. 130, Issue 17
  • DOI: 10.1021/ja711027j

Wide-band-gap Si in open fourfold-coordinated clathrate structures
journal, March 1994

  • Adams, Gary B.; O’Keeffe, Michael; Demkov, Alexander A.
  • Physical Review B, Vol. 49, Issue 12
  • DOI: 10.1103/PhysRevB.49.8048

Phase transition in diamond-structure crystals during hardness measurements
journal, November 1972

  • Gridneva, I. V.; Milman, Yu. V.; Trefilov, V. I.
  • Physica Status Solidi (a), Vol. 14, Issue 1
  • DOI: 10.1002/pssa.2210140121

Silicon clathrates and carbon analogs: high pressure synthesis, structure, and superconductivity
journal, January 2010


In situ observation of the indentation-induced phase transformation of silicon thin films
journal, March 2012


Duals of Frank-Kasper structures as C, Si and Ge clathrates: Energetics and structure
journal, July 1998

  • O'Keeffe, M.; Adams, G. B.; Sankey, O. F.
  • Philosophical Magazine Letters, Vol. 78, Issue 1
  • DOI: 10.1080/095008398178219

Two New Forms of Silicon
journal, January 1963


Homo Citans and Carbon Allotropes: For an Ethics of Citation
journal, July 2016

  • Hoffmann, Roald; Kabanov, Artyom A.; Golov, Andrey A.
  • Angewandte Chemie International Edition, Vol. 55, Issue 37
  • DOI: 10.1002/anie.201600655

Amorphization of silicon by femtosecond laser pulses
journal, April 2004

  • Jia, Jimmy; Li, Ming; Thompson, Carl V.
  • Applied Physics Letters, Vol. 84, Issue 16
  • DOI: 10.1063/1.1719280

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
  • DOI: 10.1063/1.2781394

Bulk Synthesis and Structure of a Microcrystalline Allotrope of Germanium ( m-allo -Ge)
journal, October 2011

  • Kiefer, Florian; Karttunen, Antti J.; Döblinger, Markus
  • Chemistry of Materials, Vol. 23, Issue 20
  • DOI: 10.1021/cm201976x

Stable porous crystalline silicon with nanotubular structure: A predicted allotrope with direct band gap
journal, June 2015


Systematic enumeration of crystalline networks
journal, August 1999

  • Friedrichs, Olaf Delgado; Dress, Andreas W. M.; Huson, Daniel H.
  • Nature, Vol. 400, Issue 6745
  • DOI: 10.1038/23210

Computational search for direct band gap silicon crystals
journal, September 2014


The lithium sodium silicide Li3NaSi6 and the formation of allo-silicon
journal, February 1988

  • Von Schnering, Hans-Georg; Schwarz, Martin; Nesper, Reinhard
  • Journal of the Less Common Metals, Vol. 137, Issue 1-2
  • DOI: 10.1016/0022-5088(88)90095-1

Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
journal, March 1961

  • Shockley, William; Queisser, Hans J.
  • Journal of Applied Physics, Vol. 32, Issue 3, p. 510-519
  • DOI: 10.1063/1.1736034

First-principles structural design of superhard materials
journal, March 2013

  • Zhang, Xinxin; Wang, Yanchao; Lv, Jian
  • The Journal of Chemical Physics, Vol. 138, Issue 11
  • DOI: 10.1063/1.4794424

Gigabar material properties experiments on nif and omega
conference, January 2012

  • Swift, Damian; Hawreliak, James; Braun, David
  • SHOCK COMPRESSION OF CONDENSED MATTER - 2011: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
  • DOI: 10.1063/1.3686321

Picosecond laser‐induced melting and resolidification morphology on Si
journal, June 1979

  • Liu, P. L.; Yen, R.; Bloembergen, N.
  • Applied Physics Letters, Vol. 34, Issue 12
  • DOI: 10.1063/1.90703

In situ electrical characterization of phase transformations in Si during indentation
journal, February 2003


Reversible pressure-induced structural transitions between metastable phases of silicon
journal, November 1994


Cubic boron nitride: synthesis, physicochemical properties and applications
journal, October 1991

  • Vel, Laurence; Demazeau, Gérard; Etourneau, Jean
  • Materials Science and Engineering: B, Vol. 10, Issue 2
  • DOI: 10.1016/0921-5107(91)90121-B

Coupling static and dynamic compressions: first measurements in dense hydrogen
journal, January 2004


Amorphization and Conductivity of Silicon and Germanium Induced by Indentation
journal, May 1988


Electronic structure of crystalline polytypes and amorphous Si
journal, August 1972


A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties
journal, September 2015

  • Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep14342

High-resolution investigations of ripple structures formed by femtosecond laser irradiation of silicon
journal, December 2009

  • Schade, M.; Varlamova, O.; Reif, J.
  • Analytical and Bioanalytical Chemistry, Vol. 396, Issue 5
  • DOI: 10.1007/s00216-009-3342-3

Mechanical deformation in silicon by micro-indentation
journal, May 2001

  • Bradby, J. E.; Williams, J. S.; Wong-Leung, J.
  • Journal of Materials Research, Vol. 16, Issue 5
  • DOI: 10.1557/JMR.2001.0209

Structure and properties of silicon XII: A complex tetrahedrally bonded phase
journal, August 1995


Quasiparticle band structure and screening in silicon and carbon clathrates
journal, January 2003


Metastable C-centered orthorhombic Si 8 and Ge 8
journal, September 2012


Crystal structure prediction via particle-swarm optimization
journal, September 2010


Reduction of Shear Strength and Phase-Transition in Shock-Loaded Silicon
journal, June 1982

  • Goto, Tsuneaki; Sato, Toshiyuki; Syono, Yasuhiko
  • Japanese Journal of Applied Physics, Vol. 21, Issue Part 2, No. 6
  • DOI: 10.1143/JJAP.21.L369

Near-band-gap photoluminescence of Si-Ge alloys
journal, September 1989


Electronic Properties of Complex Crystalline and Amorphous Phases of Ge and Si. I. Density of States and Band Structures
journal, March 1973


Low-density framework form of crystalline silicon with a wide optical band gap
journal, September 2000


Structural Principles of Semiconducting Group 14 Clathrate Frameworks
journal, March 2011

  • Karttunen, Antti J.; Fässler, Thomas F.; Linnolahti, Mikko
  • Inorganic Chemistry, Vol. 50, Issue 5
  • DOI: 10.1021/ic102178d

Effect of crystal orientation on the formation of bct-5 silicon
journal, July 2015


Solar cell efficiency tables (Version 45): Solar cell efficiency tables
journal, December 2014

  • Green, Martin A.; Emery, Keith; Hishikawa, Yoshihiro
  • Progress in Photovoltaics: Research and Applications, Vol. 23, Issue 1
  • DOI: 10.1002/pip.2573

Direct Band Gap Silicon Allotropes
journal, July 2014

  • Wang, Qianqian; Xu, Bo; Sun, Jian
  • Journal of the American Chemical Society, Vol. 136, Issue 28
  • DOI: 10.1021/ja5035792

Colloidal Synthesis of an Exotic Phase of Silicon: The BC8 Structure
journal, January 2014

  • Ganguly, Shreyashi; Kazem, Nasrin; Carter, Danielle
  • Journal of the American Chemical Society, Vol. 136, Issue 4
  • DOI: 10.1021/ja412213q

Materials Modification and Synthesis Under High Pressure Shock Compression
journal, August 1986


Structure of molten silicon and germanium by X-ray diffraction
journal, December 1975

  • Waseda, Y.; Suzuki, K.
  • Zeitschrift f�r Physik B Condensed Matter and Quanta, Vol. 20, Issue 4
  • DOI: 10.1007/BF01313204

Synthesis of an open-framework allotrope of silicon
journal, November 2014

  • Kim, Duck Young; Stefanoski, Stevce; Kurakevych, Oleksandr O.
  • Nature Materials, Vol. 14, Issue 2
  • DOI: 10.1038/nmat4140

New crystalline structures for Si and Ge
journal, November 1985


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
  • DOI: 10.1063/1.1332110

Sur une nouvelle famille de clathrates minéraux isotypes des hydrates de gaz et de liquides. Interprétation des résultats obtenus
journal, December 1970


A family of low-energy low-density silicon allotropes built from the diamond structure
journal, December 2013


Structural and vibrational stability of M and Z phases of silicon and germanium from first principles
journal, May 2013

  • Bautista-Hernández, A.; Rangel, T.; Romero, A. H.
  • Journal of Applied Physics, Vol. 113, Issue 19
  • DOI: 10.1063/1.4804668

Time-Resolved in Situ Synchrotron X-ray Diffraction Studies of Type 1 Silicon Clathrate Formation
journal, December 2011

  • Hutchins, Peter T.; Leynaud, Olivier; O’Dell, Luke A.
  • Chemistry of Materials, Vol. 23, Issue 23
  • DOI: 10.1021/cm2018136

Man-Made Diamonds
journal, July 1955

  • Bundy, F. P.; Hall, H. T.; Strong, H. M.
  • Nature, Vol. 176, Issue 4471
  • DOI: 10.1038/176051a0

Sur les phases de type clathrate du silicium et des éléments apparentés (C, Ge, Sn) : Une approche historique
journal, September 2009


Diamond anvil cell and high-pressure physical investigations
journal, January 1983


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
  • DOI: 10.1063/1.126300

The origins of pressure-induced phase transformations during the surface texturing of silicon using femtosecond laser irradiation
journal, October 2012

  • Smith, Matthew J.; Sher, Meng-Ju; Franta, Benjamin
  • Journal of Applied Physics, Vol. 112, Issue 8
  • DOI: 10.1063/1.4759140

Structural mechanisms of the high-pressure phase transitions in the elements of group IVa
journal, June 2007


High-Pressure Synthesis of Crystalline Carbon Nitride Imide, C2N2(NH)
journal, February 2007

  • Horvath-Bordon, Elisabeta; Riedel, Ralf; McMillan, Paul F.
  • Angewandte Chemie International Edition, Vol. 46, Issue 9
  • DOI: 10.1002/anie.200603851

Inorganic clathrate-II materials of group 14: synthetic routes and physical properties
journal, January 2008

  • Beekman, M.; Nolas, G. S.
  • J. Mater. Chem., Vol. 18, Issue 8
  • DOI: 10.1039/B706808E

Crystal-liquid interfaces and phase relations in stable and metastable silicon at positive and negative pressure
journal, December 2010


Strain energy and stability of Si-Ge compounds, alloys, and superlattices
journal, July 1991


New structural modifications of diamond: LA9, LA10, and CA12
journal, July 2014

  • Belenkov, E. A.; Greshnyakov, V. A.
  • Journal of Experimental and Theoretical Physics, Vol. 119, Issue 1
  • DOI: 10.1134/S1063776114060090

Stability and crystal structure of BC8 germanium
journal, October 1993


Genetic-Algorithm Discovery of a Direct-Gap and Optically Allowed Superstructure from Indirect-Gap Si and Ge Semiconductors
journal, January 2012


Structural characterization of pressure-induced amorphous silicon
journal, April 2009


New metastable phases of silicon
journal, September 1986