Nonicosahedral boron allotrope synthesized at high pressure and high temperature
Abstract
Theoretical predictions of pressure-induced phase transformations often become long-standing enigmas because of limitations of contemporary available experimental possibilities. Hitherto the existence of a nonicosahedral boron allotrope has been one of them. Here we report on a nonicosahedral boron allotrope, which we denoted as ζ -B, with the orthorhombic α-Ga-type structure (space group Cmce) synthesized in a diamond-anvil cell at extreme high-pressure high-temperature conditions (115 GPa and 2100 K). The structure of ζ -B was solved using single-crystal synchrotron x-ray diffraction and its compressional behavior was studied in the range of very high pressures (115–135 GPa). Here,experimental validation of theoretical predictions reveals the degree of our up-to-date comprehension of condensed matter and promotes further development of solid-state physics and chemistry.
- Authors:
-
- Univ. of Bayreuth (Germany)
- Univ. of Chicago, Argonne, IL (United States)
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
- European Synchrotron Radiation Facility, Grenoble Cedex (France)
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; National Science Foundation (NSF); German Research Foundation (DFG)
- OSTI Identifier:
- 1357640
- Alternate Identifier(s):
- OSTI ID: 1357309
- Grant/Contract Number:
- AC02-06CH11357; FG02-94ER14466; EAR-1128799; 5K13WC3; DU 954-6/1; DU 954-6/2; DU 954-8/1; DU 393-9/1; DU 393-10/1
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 95; Journal Issue: 18; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- ENGLISH
- Subject:
- 36 MATERIALS SCIENCE; zeta-boron; gamma-boron; betta-boron; single crystal X-ray diffraction; alfa-Ga structural type; high-pressure high-temperature phase transition; pressure effects; structural properties; crystal structures; polycrystalline materials; single crystal materials; pressure techniques; X-ray diffraction; X-ray powder diffraction
Citation Formats
Chuvashova, Irina, Bykova, Elena, Bykov, Maxim, Prakapenka, Vitali, Glazyrin, Konstantin, Mezouar, Mohamed, Dubrovinsky, Leonid, and Dubrovinskaia, Natalia. Nonicosahedral boron allotrope synthesized at high pressure and high temperature. United States: N. p., 2017.
Web. doi:10.1103/PhysRevB.95.180102.
Chuvashova, Irina, Bykova, Elena, Bykov, Maxim, Prakapenka, Vitali, Glazyrin, Konstantin, Mezouar, Mohamed, Dubrovinsky, Leonid, & Dubrovinskaia, Natalia. Nonicosahedral boron allotrope synthesized at high pressure and high temperature. United States. https://doi.org/10.1103/PhysRevB.95.180102
Chuvashova, Irina, Bykova, Elena, Bykov, Maxim, Prakapenka, Vitali, Glazyrin, Konstantin, Mezouar, Mohamed, Dubrovinsky, Leonid, and Dubrovinskaia, Natalia. Tue .
"Nonicosahedral boron allotrope synthesized at high pressure and high temperature". United States. https://doi.org/10.1103/PhysRevB.95.180102. https://www.osti.gov/servlets/purl/1357640.
@article{osti_1357640,
title = {Nonicosahedral boron allotrope synthesized at high pressure and high temperature},
author = {Chuvashova, Irina and Bykova, Elena and Bykov, Maxim and Prakapenka, Vitali and Glazyrin, Konstantin and Mezouar, Mohamed and Dubrovinsky, Leonid and Dubrovinskaia, Natalia},
abstractNote = {Theoretical predictions of pressure-induced phase transformations often become long-standing enigmas because of limitations of contemporary available experimental possibilities. Hitherto the existence of a nonicosahedral boron allotrope has been one of them. Here we report on a nonicosahedral boron allotrope, which we denoted as ζ -B, with the orthorhombic α-Ga-type structure (space group Cmce) synthesized in a diamond-anvil cell at extreme high-pressure high-temperature conditions (115 GPa and 2100 K). The structure of ζ -B was solved using single-crystal synchrotron x-ray diffraction and its compressional behavior was studied in the range of very high pressures (115–135 GPa). Here,experimental validation of theoretical predictions reveals the degree of our up-to-date comprehension of condensed matter and promotes further development of solid-state physics and chemistry.},
doi = {10.1103/PhysRevB.95.180102},
journal = {Physical Review B},
number = 18,
volume = 95,
place = {United States},
year = {Tue May 16 00:00:00 EDT 2017},
month = {Tue May 16 00:00:00 EDT 2017}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 10 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
High-pressure behavior of α-boron studied on single crystals by X-ray diffraction, Raman and IR spectroscopy
journal, January 2017
- Chuvashova, Irina; Bykova, Elena; Bykov, Maxim
- Journal of Solid State Chemistry, Vol. 245
Boron: Elementary Challenge for Experimenters and Theoreticians
journal, November 2009
- Albert, Barbara; Hillebrecht, Harald
- Angewandte Chemie International Edition, Vol. 48, Issue 46
Superhard Semiconducting Optically Transparent High Pressure Phase of Boron
journal, May 2009
- Zarechnaya, E. Yu.; Dubrovinsky, L.; Dubrovinskaia, N.
- Physical Review Letters, Vol. 102, Issue 18
High pressure synthesis and investigation of single crystals of metastable boron phases
journal, August 2013
- Parakhonskiy, Gleb; Dubrovinskaia, Natalia; Bykova, Elena
- High Pressure Research, Vol. 33, Issue 3
Ab initio approach for high-pressure systems with application to high-pressure phases of boron: Perturbative momentum-space potentials
journal, February 2003
- Segall, D. E.; Arias, T. A.
- Physical Review B, Vol. 67, Issue 6
A short history of SHELX
journal, December 2007
- Sheldrick, George M.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
Phase relations in boron at pressures up to 18 GPa and temperatures up to 2200 C
journal, January 2012
- Qin, Jiaqian; Irifune, Tetsuo; Dekura, Haruhiko
- Physical Review B, Vol. 85, Issue 1
First Principles Study on Mechanical Properties of Superhard α-Ga Boron
journal, February 2015
- Xu, Yuan-Hui; Liu, Hui-Yun; Hao, Xian-Feng
- Chinese Physics Letters, Vol. 32, Issue 2
WinGX and ORTEP for Windows : an update
journal, July 2012
- Farrugia, Louis J.
- Journal of Applied Crystallography, Vol. 45, Issue 4
Equation of State and Pressure Induced Amorphization of -Boron from X-Ray Measurements up to 100 GPa
journal, November 2002
- Sanz, Delia Nieto; Loubeyre, Paul; Mezouar, Mohamed
- Physical Review Letters, Vol. 89, Issue 24
EXPGUI , a graphical user interface for GSAS
journal, April 2001
- Toby, Brian H.
- Journal of Applied Crystallography, Vol. 34, Issue 2
High-pressure high-temperature x-ray diffraction of β-boron to 30 GPa
journal, May 2003
- Ma, Yanzhang; Prewitt, Charles T.; Zou, Guangtian
- Physical Review B, Vol. 67, Issue 17
Boron: a hunt for superhard polymorphs
journal, October 2009
- Oganov, A. R.; Solozhenko, V. L.
- Journal of Superhard Materials, Vol. 31, Issue 5
Neutron- and x-ray-diffraction measurements of the bulk modulus of boron
journal, April 1993
- Nelmes, R. J.; Loveday, J. S.; Allan, D. R.
- Physical Review B, Vol. 47, Issue 13
First-principles calculations of elemental crystalline boron phases under high pressure: Orthorhombic B28 and tetragonal B48
journal, April 2011
- Aydin, Sezgin; Simsek, Mehmet
- Journal of Alloys and Compounds, Vol. 509, Issue 17
Measurement of Electrical Resistance and Raman Spectrum of α-Boron under High Pressure
journal, January 2007
- Kaneshige, Masahiro; Hirayama, Shingo; Yabuuchi, Takahiro
- Journal of the Physical Society of Japan, Vol. 76, Issue Suppl.A
The Structure of α-Gallium and Its Relationship to Deltahedral Clusters
journal, June 1997
- Häuermann, Ulrich; Lidin, Sven; Simak, Sergei I.
- Chemistry - A European Journal, Vol. 3, Issue 6
Phase transitions, mechanical properties and electronic structures of novel boron phases under high-pressure: A first-principles study
journal, October 2014
- Fan, Changzeng; Li, Jian; Wang, Limin
- Scientific Reports, Vol. 4, Issue 1
EosFit7c and a Fortran module (library) for equation of state calculations
journal, January 2014
- Angel, Ross J.; Alvaro, Matteo; Gonzalez-Platas, Javier
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 229, Issue 5
Das „Druck-Abstands-Paradoxon”
journal, January 1967
- Kleber, W.
- Kristall und Technik, Vol. 2, Issue 1
Pressure-induced isostructural phase transformation in
journal, November 2010
- Zarechnaya, Evgeniya; Dubrovinskaia, Natalia; Caracas, Razvan
- Physical Review B, Vol. 82, Issue 18
Ionic high-pressure form of elemental boron
journal, January 2009
- Oganov, Artem R.; Chen, Jiuhua; Gatti, Carlo
- Nature, Vol. 457, Issue 7231
The Extreme Conditions Beamline P02.2 and the Extreme Conditions Science Infrastructure at PETRA III
journal, June 2015
- Liermann, H. -P.; Konôpková, Z.; Morgenroth, W.
- Journal of Synchrotron Radiation, Vol. 22, Issue 4
alpha-Gallium: An Alternative to the Boron Structure.
journal, January 1991
- von Schnering, Hans Georg; Nesper, Reinhard; Bøwadt, Søren
- Acta Chemica Scandinavica, Vol. 45
High-pressure close-packed structure of boron
journal, January 2014
- Li, Da; Bao, Kuo; Tian, Fubo
- RSC Adv., Vol. 4, Issue 1
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
journal, May 2002
- Belsky, Alec; Hellenbrandt, Mariette; Karen, Vicky Lynn
- Acta Crystallographica Section B Structural Science, Vol. 58, Issue 3
Metal-Nonmetal Transition in the Boron Group Elements
journal, February 2003
- Häussermann, U.; Simak, S. I.; Ahuja, R.
- Physical Review Letters, Vol. 90, Issue 6
Electron-phonon coupling of boron
journal, December 2004
- Ma, Yanming; Tse, John S.; Klug, Dennis D.
- Physical Review B, Vol. 70, Issue 21
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
BX90: A new diamond anvil cell design for X-ray diffraction and optical measurements
journal, December 2012
- Kantor, I.; Prakapenka, V.; Kantor, A.
- Review of Scientific Instruments, Vol. 83, Issue 12, Article No. 125102
Synthesis of an orthorhombic high pressure boron phase
journal, December 2008
- Yu Zarechnaya, Evgeniya; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
- Science and Technology of Advanced Materials, Vol. 9, Issue 4
Portable double-sided laser-heating system for Mössbauer spectroscopy and X-ray diffraction experiments at synchrotron facilities with diamond anvil cells
journal, December 2012
- Kupenko, I.; Dubrovinsky, L.; Dubrovinskaia, N.
- Review of Scientific Instruments, Vol. 83, Issue 12
Prediction of diamond-like, metallic boron structures
journal, August 2010
- Zhao, Yufeng; Xu, Qiang; Simpson, Lin J.
- Chemical Physics Letters, Vol. 496, Issue 4-6
High pressure synthesis of single crystals of α-boron
journal, April 2011
- Parakhonskiy, Gleb; Dubrovinskaia, Natalia; Dubrovinsky, Leonid
- Journal of Crystal Growth, Vol. 321, Issue 1
Experimental pressure-temperature phase diagram of boron: resolving the long-standing enigma
journal, September 2011
- Parakhonskiy, Gleb; Dubrovinskaia, Natalia; Bykova, Elena
- Scientific Reports, Vol. 1, Issue 1
New anvil designs in diamond-cells
journal, September 2004
- Boehler, Reinhard; De Hantsetters, Koen
- High Pressure Research, Vol. 24, Issue 3
Ionic high-pressure form of elemental boron
journal, July 2009
- Oganov, Artem R.; Chen, Jiuhua; Gatti, Carlo
- Nature, Vol. 460, Issue 7252
Pressure-induced isostructural phase transformation in γ-B 28
journal, August 2010
- Dubrovinskaia, N.; Zarechnaya, E. Yu.; Caracas, R.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 66, Issue a1
Works referencing / citing this record:
High-pressure synthesis of superhard and ultrahard materials
journal, October 2019
- Le Godec, Yann; Courac, Alexandre; Solozhenko, Vladimir L.
- Journal of Applied Physics, Vol. 126, Issue 15