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Updated: May 18, 2026
11:10
Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model
Published on: May 23, 2018
Vanadium dioxide: a Peierls-Mott insulator stable against disorder
Cédric Weber1, David D O'Regan, Nicholas D M Hine
1Cavendish Laboratory, JJ Thomson Avenue, Cambridge CB3 0HE, United Kingdom.
Physical Review Letters
|September 26, 2012
Summary
Vanadium dioxide
Area of Science:
- Condensed matter physics
- Materials science
- Quantum chemistry
Background:
- Vanadium dioxide (VO2) exhibits a metal-insulator transition near room temperature (340 K).
- Understanding the mechanism behind this transition is crucial for its potential applications.
Purpose of the Study:
- To elucidate the complex mechanism driving the insulating M(1) phase in vanadium dioxide.
- To investigate the robustness of this mechanism under disordered conditions.
Main Methods:
- Advanced linear scaling density-functional theory (DFT) calculations.
- Refinement of DFT with nonlocal dynamical mean-field theory (DMFT).
Main Results:
- Identification of a Peierls-assisted orbital selection Mott instability as the key mechanism.
- This mechanism is responsible for the insulating M(1) phase in VO2.
- The identified mechanism persists even with moderate levels of disorder.
Conclusions:
- The Peierls-assisted orbital selection Mott instability is the primary driver of the VO2 metal-insulator transition.
- This mechanism's resilience to disorder suggests potential for robust VO2-based devices.
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