2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 2004 | 2003 | 2002 | 2001 | 2000 | 1999 | 1997

High-pressure phases of VO2 from the combination of Raman scattering and ab initio structural search

Authors: V. Balédent, T.F.T. Cerqueira, R. Sarmiento-Pérez, A. Shukla, C. Bellin, M. Marsi, J.-P. Itié, M. Gatti, M.A.L. Marques, S. Botti, and J.-P. Rueff

Ref.: Phys. Rev. B 97, 024107 (2018)

Abstract: Despite more than 50 years of investigation, the understanding of the metal-insulator transition in VO2 remains incomplete and requires additional experimental and theoretical works. Using Raman scattering under pressure, we first confirm the known transition around 11 GPa affecting the V orbitals occupancy in absence of structural changes. Moreover, we disclose a novel transition around 19 GPa involving the V orbitals together with a structural distortion, revealed by the splitting of a phonon branch associated to the V chains. The high pressure metallic X phase is found to be of low symmetry and becomes the lowest-enthalpy structure at high pressure by ab initio structural prediction calculations. In contrast to the well-established picture of the metal-insulator transition (i.e. Peierls transition), the high-pressure metallic phase here is of lower symmetry than the ambient pressure insulating phase.

Citations: 5 (Google scholar)

DOI: 10.1103/PhysRevB.97.024107

URL: Download

Bibtex:

@article{Bal_dent_2018,
	doi = {10.1103/physrevb.97.024107},
	url = {https://doi.org/10.1103%2Fphysrevb.97.024107},
	year = 2018,
	month = {jan},
	publisher = {American Physical Society ({APS})},
	volume = {97},
	number = {2},
	author = {Victor Bal{\'{e}}dent and Tiago T. F. Cerqueira and Rafael Sarmiento-P{\'{e}}rez and Abhay Shukla and Christophe Bellin and Marino Marsi and Jean-Paul Iti{\'{e}} and Matteo Gatti and Miguel A. L. Marques and Silvana Botti and Jean-Pascal Rueff},
	title = {High-pressure phases of 
		{VO}2
		 from the combination of Raman scattering and 
		ab initio
		 structural search},
	journal = {Physical Review B}
}