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We present a theoretical investigation of the electronic structure of rutile (metallic) and M$_1$ and M$_2$ monoclinic (insulating) phases of VO$_2$ employing a fully self-consistent combination of density functional theory and embedded…

Strongly Correlated Electrons · Physics 2016-08-03 W. H. Brito , M. C. O. Aguiar , K. Haule , G. Kotliar

Vanadium dioxide, VO2, and its metal-insulator transition at T=340K continues to receive considerable interest. The question whether the physics of the insulating low-temperature phase is dominated by the Mott or the Peierls scenario, i.e.…

Strongly Correlated Electrons · Physics 2008-11-10 Jan M. Tomczak , Silke Biermann

We use polarization- and temperature-dependent x-ray absorption spectroscopy, in combination with photoelectron microscopy, x-ray diffraction and electronic transport measurements, to study the driving force behind the insulator-metal…

Electrons in correlated insulators are prevented from conducting by Coulomb repulsion between them. When an insulator-to-metal transition is induced in a correlated insulator by doping or heating, the resulting conducting state can be…

The quasi-particle spectra in the metallic rutile and insulating monoclinic phases of VO$_2$ are shown to be dominated by local Coulomb interactions. In the rutile phase the small orbital polarization among V 3d t_2g states leads to weak…

Strongly Correlated Electrons · Physics 2007-05-23 A. Liebsch , H. Ishida , G. Bihlmayer

Vanadium dioxide(VO$_2$) is a paradigmatic example of a strongly correlated system that undergoes a metal-insulator transition at a structural phase transition. To date, this transition has necessitated significant post-hoc adjustments to…

Strongly Correlated Electrons · Physics 2017-12-20 Huihuo Zheng , Lucas K. Wagner

Vanadium dioxide is one of the most studied strongly correlated materials. Nonetheless, the intertwining between electronic correlation and lattice effects has precluded a comprehensive description of the rutile metal to monoclinic…

Strongly Correlated Electrons · Physics 2020-03-18 Francesco Grandi , Adriano Amaricci , Michele Fabrizio

Vanadium dioxide (VO2) has drawn significant attention for its near room temperature insulator to metal transition and associated structural phase transition. The underlying Physics behind the temperature induced insulator to metal and…

Materials Science · Physics 2023-04-19 S. R. Sahu , S. S. Majid , A. Ahad , A. Tripathy , K. Dey , S. Pal , B. K. De , Wen-Pin Hsieh , R. Rawat , V. G. Sathe , D. K. Shukla

Using an \textit{ab initio} approach based on the GW approximation which includes strong local \textbf{k}-space correlations, the Metal-Insulator Transition of M$_2$ vanadium dioxide is broken down into its component parts and investigated.…

Strongly Correlated Electrons · Physics 2017-09-15 Jamie M. Booth , Daniel W. Drumm , Phil S. Casey , Suresh K. Bhargava , Jackson S. Smith , Salvy P. Russo

We present the first comprehensive broadband optical spectroscopy data on two insulating phases of vanadium dioxide (VO2): monoclinic M2 and triclinic. The main result of our work is that the energy gap and the electronic structure are…

Strongly Correlated Electrons · Physics 2017-02-22 T. J. Huffman , C. Hendriks , E. J. Walter , Joonseok Yoon , Honglyoul Ju , R. Smith , G. L. Carr , H. Krakauer , M. M. Qazilbash

Vanadium dioxide undergoes a first order metal-insulator transition at 340 K. In this work, we develop and carry out state of the art linear scaling DFT calculations refined with non-local dynamical mean-field theory. We identify a complex…

Strongly Correlated Electrons · Physics 2012-07-11 Cedric Weber , David D. O'Regan , Nicholas D. M. Hine , Mike C. Payne , Gabriel Kotliar , Peter B. Littlewood

The results of first principles electronic structure calculations for the metallic rutile and the insulating monoclinic M1 phase of vanadium dioxide are presented. In addition, the insulating M2 phase is investigated for the first time. The…

Strongly Correlated Electrons · Physics 2017-09-27 Volker Eyert

Researchers pursuing advanced photoelectric devices have discovered near room-temperature metal-insulator transitions (MIT) in non-volatile VO2. Despite theoretical investigations suggesting that polaron dynamics mediate the MIT, direct…

Vanadium dioxide (VO$_2$) is central in the study of ultrafast photoinduced insulator-to-metal phase transitions in strongly correlated materials, and a primary candidate for next-generation light-driven devices. However, the physical…

Strongly Correlated Electrons · Physics 2025-09-23 S. Mandal , P. Kumar , H. Y. Kim , Z. Pi , J. Xu , D. Chen , D. Kazenwadel , P. Baum , S. Meng , E. Goulielmakis

Metal-insulator (MI) transitions in correlated electron systems have long been a central and controversial issue in material science. Vanadium dioxide (VO2) exhibits a first-order MI transition at 340 K. For more than half a century, it has…

Strongly Correlated Electrons · Physics 2020-08-26 Yasuhiro H. Matsuda , Daisuke Nakamura , Akihiko Ikeda , Shojiro Takeyama , Yuji Muraoka , Yuki Suga

The insulator-to-metal transition (IMT) in vanadium dioxide (VO2) has garnered extensive attention for its potential applications in ultrafast switches, neuronal network architectures, and storage technologies. However, a significant…

Materials Science · Physics 2025-01-07 Feng-Wu Guo , Wen-Hao Liu , Zhi Wang , Shu-Shen Li , Lin-Wang Wang , Jun-Wei Luo

We report the first application of critical cluster techniques to the Mott metal-insulator transition in vanadium dioxide. We show that the geometric properties of the metallic and insulating puddles observed by scanning near-field infrared…

Strongly Correlated Electrons · Physics 2016-01-27 Shuo Liu , B. Phillabaum , E. W. Carlson , K. A. Dahmen , N. S. Vidhyadhiraja , M. M. Qazilbash , D. N. Basov

The debate about whether the insulating phases of vanadium dioxide (VO2) can be described by band theory or must be described by a theory of strong electron correlations remains unresolved even after decades of research. Energy-band…

Materials Science · Physics 2017-03-15 Sheng Xu , Xiao Shen , Kent A. Hallman , Richard F. Haglund , Sokrates T. Pantelides

VO2 is renowned for its electric transition from an insulating monoclinic (M1) phase characterized by V-V dimerized structures, to a metallic rutile (R) phase above 340 Kelvin. This transition is accompanied by a magnetic change: the M1…

Materials Science · Physics 2023-10-10 Yubo Zhang , Da Ke , Junxiong Wu , Chutong Zhang , Baichen Lin , Zuhuang Chen , John P. Perdew , Jianwei Sun

Vanadium dioxide is currently considered as one of the most promising metarials for oxide elcteronics. Both planar and sandwich thin-film MOM devices based on VO2 exhibit electrical switching with an S-shaped I-V characteristic, and this…

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