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Title: High-pressure phase transition makes B 4.3 C boron carbide a wide-gap semiconductor

Journal Article · · Journal of Physics. Condensed Matter
 [1];  [2];  [3];  [2];  [4]
  1. Xinjiang Univ. (China). Dept. of Physical Science and Technology; Univ. of Hawaii, Honolulu, HI (United States). Hawaii Inst. of Geophysics and Planteology; Carnegie Institution of Washington
  2. Univ. of Hawaii, Honolulu, HI (United States). Hawaii Inst. of Geophysics and Planteology
  3. Univ. of Duisburg (Germany). Experimental Physics
  4. Univ. of California, Santa Cruz, CA (United States). Dept. of Earth and Planetary Sciences

Single-crystal B4.3C boron carbide is investigated concerning the pressure-dependence of optical properties and of Raman-active phonons up to ~70 GPa. The high concentration of structural defects determining the electronic properties of boron carbide at ambient conditions initially decrease and finally vanish with pressure increasing. We obtain this immediately from transparency photos, allowing to estimate the pressure-dependent variation of the absorption edge rapidly increasing around 55 GPa. Glass-like transparency at pressures exceeding 60 GPa indicate that the width of the band exceeds ~3.1 eV thus making boron carbide a wide-gap semiconductor. Furthermore, the spectra of Raman–active phonons indicate a pressure-dependent phase transition in single-crystal natB4.3C boron carbide near 35 GPa., particularly related to structural changes in connection with the C-B-C chains, while the basic icosahedral structure remains largely unaffected.

Research Organization:
Carnegie Inst. of Washington, Argonne, IL (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
Grant/Contract Number:
NA0002006
OSTI ID:
1379177
Journal Information:
Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 4 Vol. 28; ISSN 0953-8984
Publisher:
IOP PublishingCopyright Statement
Country of Publication:
United States
Language:
English

References (47)

Gap-state related photoluminescence in boron carbide journal October 2010
Improved Raman Effect Studies on Boron Carbide (B4.3C) journal January 1993
Interband and Gap State Related Transitions in β-Rhombohedral Boron journal April 1993
Structural and Electronic Properties of Carbon-Doped β-Rhombohedral Boron journal October 1993
Confined Raman Scattering - Easy Access to the Surface Phonons of Specific Crystalline Solids: Confined Raman Scattering journal July 2015
Lattice Vibrations of Boron Carbide journal October 1997
Interband Critical Points of Some Icosahedral Boron-Rich Solids journal October 1997
The Electronic Structure of Crystalline Boron Carbide I: B12 Icosahedra and C-B-C Chains book January 1990
Raman effect of boron carbide (B4.3C to B10.37C) journal March 1994
On the reliability of the Raman spectra of boron-rich solids journal September 1999
Tuning the band gap of PbCrO4 through high-pressure: Evidence of wide-to-narrow semiconductor transitions journal February 2014
FT-Raman spectra of isotope-enriched boron carbide journal February 2004
Some properties of single-crystal boron carbide journal February 2004
New insights into the enigma of boron carbide inverse molecular behavior journal July 2014
Isotopic phonon effects in boron-rich solids journal November 2012
Phase transitions of boron carbide: Pair interaction model of high carbon limit journal September 2015
Van Hove singularities of some icosahedral boron-rich solids by differential reflectivity spectra journal September 2015
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions journal January 1986
Nanoindentation and Raman spectroscopy studies of boron carbide single crystals journal November 2002
Dynamic behavior of boron carbide journal April 2004
Raman spectroscopy of pressure-induced amorphous boron carbide journal March 2006
Calibration of the pressure dependence of the R 1 ruby fluorescence line to 195 kbar journal June 1975
The electronic structure of zircon-type orthovanadates: Effects of high-pressure and cation substitution journal August 2011
Local vibrational modes of impurities in semiconductors journal April 2000
Investigations in the boron-carbon system with the aid of electron probe microanalysis conference January 1991
Structure and bonding in crystalline boron and B 12 C 3 journal January 1982
Hydrostatic limits of 11 pressure transmitting media journal March 2009
On excitons and other gap states in boron carbide journal November 2006
Raman effect in icosahedral boron-rich solids journal February 2010
Superconductivity research on boron solids and an efficient doping method journal June 2009
Boron carbides from first principles journal June 2009
X-ray diffraction study of B 4 C under high pressure journal March 2010
Metallicity of boron carbides at high pressure journal March 2010
Self-consistent calculations of the energy bands and bonding properties of B 12 C 3 journal July 1990
Lattice vibrations of the icosahedral solid α-boron journal August 1991
Superconductivity from doping boron icosahedra journal June 2004
Structural transformation of compressed solid Ar: An x-ray diffraction study to 114 GPa journal March 2006
Hall-effect and resistivity measurements in CdTe and ZnTe at high pressure: Electronic structure of impurities in the zinc-blende phase and the semimetallic or metallic character of the high-pressure phases journal March 2009
Pressure effects on the electronic and optical properties of A WO 4 wolframites ( A   = Cd, Mg, Mn, and Zn): The distinctive behavior of multiferroic MnWO 4 journal September 2012
First-principles study of configurational disorder in B 4 C using a superatom-special quasirandom structure method journal July 2014
Theoretical study of the structure of boron carbide B 13 C 2 journal August 2014
Depressurization Amorphization of Single-Crystal Boron Carbide journal February 2009
Lattice Dynamics of Icosahedral α -Boron under Pressure journal January 1997
Atomic Structure and Vibrational Properties of Icosahedral B 4 C Boron Carbide journal October 1999
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal October 2011
The nature of the chemical bonding in boron carbide. IV. Electronic band structure of boron carbide, B 13 C 2 , and three models of the structure B 12 C 3 journal June 1983
Boron Carbide: Structure, Properties, and Stability under Stress journal October 2011

Cited By (9)

Structural stability and mechanism of compression of stoichiometric B$_{13}$C$_2$ up to 68GPa text January 2017
Carbothermic synthesis of boron carbide with low free carbon using catalytic amount of magnesium chloride journal February 2019
Structural stability and mechanism of compression of stoichiometric B13C2 up to 68GPa journal August 2017
Systematic error in conventionally measured Raman spectra of boron carbide—A general issue in solid state Raman spectroscopy journal April 2019
High-pressure deformation and amorphization in boron carbide journal June 2019
Carbon-rich icosahedral boron carbides beyond B 4 C and their thermodynamic stabilities at high temperature and pressure from first principles journal August 2016
Properties of B 4 C in the shocked state for pressures up to 1.5 TPa journal May 2017
Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles journal May 2018
Structural stability and mechanism of compression of stoichiometric B$_{13}$C$_2$ up to 68GPa text January 2017

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