Journal Article

PUBDB-2026-01711

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png High-pressure formation and characterization of a boron carbide polymorph featuring bent C–B–C chains

Liang, A. (Corresponding author)Extern* ; Ranieri, U.Extern* ; Spender, J.Extern* ; Lamb, C. ; Bolton, S.Extern* ; Massani, B.Extern*XFEL.EU* ; McWilliams, R. S.Extern*XFEL.EU* ; Fedotenko, T.Extern*DESY* ; Glazyrin, K.XFEL.EU*DESY* ; Giordano, N.DESY* ; Wright, J. ; Trybel, F. ; Laniel, D. (Corresponding author)Extern*

2026
Inst. Woodbury, NY

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Please use a persistent id in citations: doi:10.1103/v5kf-svcz  doi:10.3204/PUBDB-2026-01711

Abstract: Boron carbide is a material of choice for multiple industries, e.g., aerospace, as a lightweight structural ceramic due to its high hardness, high melting temperature, and low density. However, its mechanical properties have been observed to radically degrade under shockwave compression, presumably as a consequence of stress-induced phase transitions resulting in its partial amorphization. So far, the physical mechanism underpinning this behavior remains unclear. Here, we report a pressure-induced phase transition in boron carbide occurring between 78 and 90 GPa during static compression in diamond anvil cells, both at room temperature and after quenching from high temperatures. The crystal structure of the new phase was solved and refined via synchrotron single-crystal x-ray diffraction measurements and further investigated by Raman spectroscopy as well as density functional theory calculations. The discovered high-pressure polymorph, 𝑚𝐶⁢60−B$_{13}$⁢C$_2$, has strong resemblance with the known ambient conditions phase, ℎ𝑅⁢45−B$_{13}$⁢C$_2$, with the important distinction that the linear C–B–C chain linking B$_{12}$ icosahedra in ℎ𝑅⁢45−B$_{13}$⁢C$_2$ is bent in 𝑚𝐶⁢60−B$_{13}$⁢C$_2$. Such bending of the C–B–C chain has been hypothesized as key to explain boron carbide's drop in strength, phase transitions, and amorphization. The observed reversibility of the phase transition, as well as the formation of covalent bonds between B12 icosahedra and the bent C–B–C chains, are assessed to decipher the C–B–C chain's bending importance on the amorphization and mechanical properties of boron carbide.

Note: The following relevant grants/funding/projects/facilities are acknowledged in the publication but do not show up in the grant search field :European Synchrotron Radiation Facility (ESRF), ID11 beamlines, Proposals No. HC-5390, HC-5589, and CH-6821UKRI Future Leaders Fellowship MR/V025724/1ERC Grant UNMASCC-HP, 10.3030/101117758European Union fundingSwedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University, faculty grant SFO-Mat-LiU 2009-00971National Academic Infrastructure for Supercomputing in Sweden (NAISS), partially funded by Swedish Research Council Grant Agreement No. 2022–06725NAISS access to the LUMI supercomputer, owned by the EuroHPC Joint Undertaking and hosted by CSC (Finland) and the LUMI consortium

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. PETRA-D (FS-PETRA-D)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. FS-Proposal: I-20230832 (I-20230832) (I-20230832)
4. FS-Proposal: I-20230064 (I-20230064) (I-20230064)
5. FS-Proposal: I-20240286 (I-20240286) (I-20240286)

Experiment(s):

1. PETRA Beamline P02.2 (PETRA III)

Appears in the scientific report 2026

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Database coverage:
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