Pressure-induced isostructural phase transformation inγ-B28 | Zendy

E. Yu. Zarechnaya | Zendy; Natalia Dubrovinskaia | Zendy; Razvan Caracas | Zendy; Marco Merlini | Zendy; Michael Hanfland | Zendy; Yaroslav Filinchuk | Zendy; D. Chernyshov | Zendy; Vladimir Dmitriev | Zendy; Leonid Dubrovinsky | Zendy

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Pressure-induced isostructural phase transformation inγ-B28

Author(s) -

E. Yu. Zarechnaya,

Natalia Dubrovinskaia,

Razvan Caracas,

Marco Merlini,

Michael Hanfland,

Yaroslav Filinchuk,

D. Chernyshov,

Vladimir Dmitriev,

Leonid Dubrovinsky

Publication year - 2010

Publication title -

physical review b

Language(s) - English

Resource type - Journals

eISSN - 1538-4489

pISSN - 1098-0121

DOI - 10.1103/physrevb.82.184111

Subject(s) - isostructural , raman spectroscopy , crystallography , ab initio , phase (matter) , boron , materials science , physics , diffraction , crystal structure , chemistry , optics , nuclear physics , quantum mechanics

International audienceIsostructural phase transformations (ISPhTs) so far were reported only for heavy elements and their compounds with complex electronic and/or magnetic structures. Studies of one of the lightest elemental material, high-pressure boron gamma-B(28), by means of in situ single-crystal x-ray diffraction and Raman spectroscopy reveal abrupt changes in the compressional behavior and Raman spectra at 40 GPa. Combined experimental and ab initio theoretical analysis of the structural and vibrational properties of gamma-B(28) suggests that the ISPhT under compression is due to the changes in the polarity of the covalent bonds between the boron atoms in the complex quasimolecular structure of gamma-B(28)

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