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Title: Pressure-induced cation-cation bonding in V2O3

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:
 [1] ;  [2] ;  [3] ;  [2] ;  [2] ;  [2] ;  [4] ;  [4] ;  [4] ;  [4]
  1. Univ. of Nevada, Las Vegas, NV (United States); Carnegie Inst. of Washington, Argonne, IL (United States)
  2. Univ. of Nevada and High Pressure Science and Engineering Center (HiPSEC), Las Vegas, NV (United States)
  3. Univ. of Glasgow, Glasgow (United Kingdom)
  4. Carnegie Inst. of Washington, Argonne, IL (United States)
Publication Date:
OSTI Identifier:
1332787
Grant/Contract Number:
NA0001982
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)
Research Org:
Univ. of Nevada, Las Vegas, NV (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY