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

Abstract

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.

Authors:
; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1183221
Grant/Contract Number:  
AC02-05CH11231; DOE-NNSA DE-NA0001974; AC02-06CH11357; AC02-76SF00515; DOE-BES DE-FG02-99ER45775; SG0001057
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 91 Journal Issue: 18; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Zhao, Zhao, Zeng, Qiaoshi, Zhang, Haijun, Wang, Shibing, Hirai, Shigeto, Zeng, Zhidan, and Mao, Wendy L. Structural transition and amorphization in compressed α - Sb 2 O 3. United States: N. p., 2015. Web. doi:10.1103/PhysRevB.91.184112.
Zhao, Zhao, Zeng, Qiaoshi, Zhang, Haijun, Wang, Shibing, Hirai, Shigeto, Zeng, Zhidan, & Mao, Wendy L. Structural transition and amorphization in compressed α - Sb 2 O 3. United States. doi:10.1103/PhysRevB.91.184112.
Zhao, Zhao, Zeng, Qiaoshi, Zhang, Haijun, Wang, Shibing, Hirai, Shigeto, Zeng, Zhidan, and Mao, Wendy L. Wed . "Structural transition and amorphization in compressed α - Sb 2 O 3". United States. doi:10.1103/PhysRevB.91.184112.
@article{osti_1183221,
title = {Structural transition and amorphization in compressed α - Sb 2 O 3},
author = {Zhao, Zhao and Zeng, Qiaoshi and Zhang, Haijun and Wang, Shibing and Hirai, Shigeto and Zeng, Zhidan and Mao, Wendy L.},
abstractNote = {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.},
doi = {10.1103/PhysRevB.91.184112},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 18,
volume = 91,
place = {United States},
year = {Wed May 27 00:00:00 EDT 2015},
month = {Wed May 27 00:00:00 EDT 2015}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevB.91.184112

Citation Metrics:
Cited by: 6 works
Citation information provided by
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Works referenced in this record:

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