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Title: Pair distribution function analysis: The role of structural degrees of freedom in the high-pressure insulator to metal transition of VO 2

Abstract

The evolution of the local structure of VO2 was investigated across the pressure-induced insulator to metal transition (IMT) by means of pair distribution function measurements. The pressure behavior of the V-V and V-O bond lengths have been determined. The data demonstrated that the pressure-driven IMT is not activated by the suppression of the Peierls-type distortion. A clear octahedra symmetrization is observed in the metallic phase, suggesting a link between structural degree of freedom and the metallization process.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6]
  1. Argonne National Lab. (ANL), Argonne, IL (United States); Carnegie Inst. of Washington, Washington, DC (United States)
  2. Sapienza Univ. of Rome (Italy)
  3. Univ. of Pavia (Italy); National Interuniversity Consortium of Materials Science and Technology (INSTM), Pavia (Italy)
  4. Consortium for the Construction, Equipping and Exploitation of the Synchrotron Light Source-ALBA (CELLS-ALBA), Cerdanyola del Valles, Barcelona (Spain)
  5. Argonne National Lab. (ANL), Argonne, IL (United States)
  6. Carnegie Inst. of Washington, Washington, DC (United States); Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree); Carnegie Inst. of Washington, Washington, DC (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1469811
Alternate Identifier(s):
OSTI ID: 1257666
Grant/Contract Number:  
SC0001057
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 24; Related Information: EFree partners with Carnegie Institution of Washington (lead); California Institute of Technology; Colorado School of Mines; Cornell University; Lehigh University; Pennsylvania State University; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; catalysis (heterogeneous); solar (photovoltaic); phonons; thermoelectric; energy storage (including batteries and capacitors); hydrogen and fuel cells; superconductivity; charge transport; mesostructured materials; materials and chemistry by design; synthesis (novel materials)

Citation Formats

Baldini, M., Postorino, P., Malavasi, L., Marini, C., Chapman, K. W., and Mao, Ho-kwang. Pair distribution function analysis: The role of structural degrees of freedom in the high-pressure insulator to metal transition of VO2. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.93.245137.
Baldini, M., Postorino, P., Malavasi, L., Marini, C., Chapman, K. W., & Mao, Ho-kwang. Pair distribution function analysis: The role of structural degrees of freedom in the high-pressure insulator to metal transition of VO2. United States. doi:10.1103/PhysRevB.93.245137.
Baldini, M., Postorino, P., Malavasi, L., Marini, C., Chapman, K. W., and Mao, Ho-kwang. Fri . "Pair distribution function analysis: The role of structural degrees of freedom in the high-pressure insulator to metal transition of VO2". United States. doi:10.1103/PhysRevB.93.245137. https://www.osti.gov/servlets/purl/1469811.
@article{osti_1469811,
title = {Pair distribution function analysis: The role of structural degrees of freedom in the high-pressure insulator to metal transition of VO2},
author = {Baldini, M. and Postorino, P. and Malavasi, L. and Marini, C. and Chapman, K. W. and Mao, Ho-kwang},
abstractNote = {The evolution of the local structure of VO2 was investigated across the pressure-induced insulator to metal transition (IMT) by means of pair distribution function measurements. The pressure behavior of the V-V and V-O bond lengths have been determined. The data demonstrated that the pressure-driven IMT is not activated by the suppression of the Peierls-type distortion. A clear octahedra symmetrization is observed in the metallic phase, suggesting a link between structural degree of freedom and the metallization process.},
doi = {10.1103/PhysRevB.93.245137},
journal = {Physical Review B},
number = 24,
volume = 93,
place = {United States},
year = {2016},
month = {6}
}

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Cited by: 3 works
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