Pressure-induced cation-cation bonding in
Abstract
A pressure-induced phase transition, associated with the formation of cation-cation bonding, occurs in V2O3 by combining synchroton x-ray diffraction in a diamond anvil cell and ab initio evolutionary calculations. The high-pressure phase has a monoclinic structure with a C2/c space group, and it is both energetically and dynamically stable at pressures above 47 GPa to at least 105 GPa. this phase transition can be viewed as a two-dimensional Peierls-like distortion, where the cation-cation dimer chains are connected along the c axis of the monoclinic cell. In conclusion, this finding provides insights into the interplay of electron correlation and lattice distortion in V2O3, and it may also help to understand novel properties of other early transition-metal oxides.
- Authors:
-
- Univ. of Nevada, Las Vegas, NV (United States); Carnegie Inst. of Washington, Argonne, IL (United States)
- Univ. of Nevada and High Pressure Science and Engineering Center (HiPSEC), Las Vegas, NV (United States)
- Univ. of Glasgow, Glasgow (United Kingdom)
- Carnegie Inst. of Washington, Argonne, IL (United States)
- Publication Date:
- Research Org.:
- Univ. of Nevada, Las Vegas, NV (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1332787
- Alternate Identifier(s):
- OSTI ID: 1223338
- Grant/Contract Number:
- NA0001982; NA0001974; FG02-99ER45775; AC02-06CH11357; NA001982
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 92; Journal Issue: 13; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Bai, Ligang, Li, Quan, Corr, Serena A., Pravica, Michael, Chen, Changfeng, Zhao, Yusheng, Sinogeikin, Stanislav V., Meng, Yue, Park, Changyong, and Shen, Guoyin. Pressure-induced cation-cation bonding in V2O3. United States: N. p., 2015.
Web. doi:10.1103/PhysRevB.92.134106.
Bai, Ligang, Li, Quan, Corr, Serena A., Pravica, Michael, Chen, Changfeng, Zhao, Yusheng, Sinogeikin, Stanislav V., Meng, Yue, Park, Changyong, & Shen, Guoyin. Pressure-induced cation-cation bonding in V2O3. United States. https://doi.org/10.1103/PhysRevB.92.134106
Bai, Ligang, Li, Quan, Corr, Serena A., Pravica, Michael, Chen, Changfeng, Zhao, Yusheng, Sinogeikin, Stanislav V., Meng, Yue, Park, Changyong, and Shen, Guoyin. Fri .
"Pressure-induced cation-cation bonding in V2O3". United States. https://doi.org/10.1103/PhysRevB.92.134106. https://www.osti.gov/servlets/purl/1332787.
@article{osti_1332787,
title = {Pressure-induced cation-cation bonding in V2O3},
author = {Bai, Ligang and Li, Quan and Corr, Serena A. and Pravica, Michael and Chen, Changfeng and Zhao, Yusheng and Sinogeikin, Stanislav V. and Meng, Yue and Park, Changyong and Shen, Guoyin},
abstractNote = {A pressure-induced phase transition, associated with the formation of cation-cation bonding, occurs in V2O3 by combining synchroton x-ray diffraction in a diamond anvil cell and ab initio evolutionary calculations. The high-pressure phase has a monoclinic structure with a C2/c space group, and it is both energetically and dynamically stable at pressures above 47 GPa to at least 105 GPa. this phase transition can be viewed as a two-dimensional Peierls-like distortion, where the cation-cation dimer chains are connected along the c axis of the monoclinic cell. In conclusion, this finding provides insights into the interplay of electron correlation and lattice distortion in V2O3, and it may also help to understand novel properties of other early transition-metal oxides.},
doi = {10.1103/PhysRevB.92.134106},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 13,
volume = 92,
place = {United States},
year = {Fri Oct 09 00:00:00 EDT 2015},
month = {Fri Oct 09 00:00:00 EDT 2015}
}
Web of Science
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