Structural transition and amorphization in compressed α - Sb 2 O 3

Zhao, Zhao; Zeng, Qiaoshi; Zhang, Haijun; Wang, Shibing; Hirai, Shigeto; Zeng, Zhidan; Mao, Wendy L.

doi:10.1103/PhysRevB.91.184112

Structural transition and amorphization in compressed $α - {Sb}_{2} O_{3}$

Journal Article · Wed May 27 00:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.91.184112· OSTI ID:1183221

Zhao, Zhao; Zeng, Qiaoshi; Zhang, Haijun; Wang, Shibing; Hirai, Shigeto; Zeng, Zhidan; Mao, Wendy L.

Sb₂O₃-based materials are of broad interest in materials science and industry. High-pressure study using diamond anvil cells shows promise in obtaining new crystal and electronic structures different from their pristine states. Here, we conducted in situ angle dispersive synchrotron x-ray-diffraction and Raman spectroscopy experiments on α-Sb₂O₃ up to 50 GPa with neon as the pressure transmitting medium. A first-order structural transition was observed in between 15 and 20 GPa, where the cubic phase I gradually transformed into a layered tetragonal phase II through structural distortion and symmetry breaking. To explain the dramatic changes in sample color and transparency, we performed first-principles calculations to track the evolution of its density of states and electronic structure under pressure. At higher pressure, a sluggish amorphization was observed. Our results highlight the structural connections among the sesquioxides, where the lone electron pair plays an important role in determining the local structures.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231; AC02-06CH11357; AC02-76SF00515

OSTI ID:: 1183221

Alternate ID(s):: OSTI ID: 1184237
OSTI ID: 1261904

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 18 Vol. 91; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Structural transition and amorphization in compressed $α - {Sb}_{2} O_{3}$