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

Title: 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.

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

Grant/Contract Number:: AC02-05CH11231; DOE-NNSA DE-NA0001974; AC02-06CH11357; AC02-76SF00515; DOE-BES DE-FG02-99ER45775; SG0001057

OSTI ID:: 1183221

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

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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