Comment on "V<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: Peierls or Mott-Hubbard? A View from Band Theory"

Rice, T. M.; Launois, H.; Pouget, Jean‐Paul

doi:10.1103/physrevlett.73.3042

Cited by 334 publications

(249 citation statements)

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“…In the M2 phase the Peierls pairing is partially removed: one half of the V atoms dimerizes along the c-axis, and the other one forms zig-zag chains of equally spaced atoms [16]. The insulating character of the M2 phase has been reported as a further support of the idea that the physics of VO 2 is close to that of a Mott-Hubbard insulator [17,18].High pressure is an ideal tool for studying electroncorrelated systems. Lattice compression in these systems usually increases the orbital overlap and the electronic bandwidth (W) thus allowing for a systematic study of the physical properties as a function of U/W.…”

mentioning

confidence: 52%

Evidence of a Pressure-Induced Metallization Process in MonoclinicVO2

Arcangeletti¹,

Baldassarre²,

Castro³

et al. 2007

Phys. Rev. Lett.

191

171

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Raman and combined trasmission and reflectivity mid infrared measurements have been carried out on monoclinic VO2 at room temperature over the 0-19 GPa and 0-14 GPa pressure ranges, respectively. The pressure dependence obtained for both lattice dynamics and optical gap shows a remarkable stability of the system up to P*∼10 GPa. Evidence of subtle modifications of V ion arrangements within the monoclinic lattice together with the onset of a metallization process via band gap filling are observed for P>P*. Differently from ambient pressure, where the VO2 metal phase is found only in conjunction with the rutile structure above 340 K, a new room temperature metallic phase coupled to a monoclinic structure appears accessible in the high pressure regime, thus opening to new important queries on the physics of VO2. PACS numbers:Since the first observation of the metal to insulator transition (MIT) in several vanadium oxides, these materials attracted considerable interest because of the huge and abrupt change of the electrical properties at the MIT. As usual in transition metal oxides, electronic correlation strongly affects the conduction regime of vanadium oxides, although, in some compounds, lattice degrees of freedom seem to play an important role. This is the case of VO 2 , which undergoes a first order transition from a high temperature metallic rutile (R) phase to a low temperature insulating monoclinic (M1) one. At the MIT temperature, T c =340 K, the opening of an optical gap in the mid-infrared (MIR) conductivity and a jump of several order of magnitude in the resistivity are observed [1]. The interest on this compound is thus mainly focused on understanding the role and the relative importance of the electron-electron and the electron-lattice interaction in driving the MIT. Despite the great experimental and theoretical efforts [2], the understanding of this transition is still far from being complete [3,4,5,6,7]. In the R phase the V atoms, each surrounded by an oxygen octahedron, are equally spaced along linear chains in the c-axis direction and form a body-centered tetragonal lattice. On entering the M1 insulating phase the dimerization of the vanadium atoms and the tilting of the pairs with respect to the c axis lead to a doubling of the unit cell, with space group changing from C 5 2h (R) to D 14 4h (M1) [8,9]. As first proposed by Goodenough [10], the V-V pairing and the off-axis zig-zag displacement of the dimers lead to a band splitting with the formation of a Peierls-like gap at the Fermi level. First principle electronic structure calculations based on local density approximation (LDA) showed the band splitting on entering the monoclinic phase, but failed to yield the opening of the band gap [11,12]. In fact, as early pointed out [13], the electron-electron correlation has to be taken into account to obtain the insulating phase. A recent theoretical paper where the electronic Coulomb repulsion U is properly accounted for, shows that calculations carried out joining dynamical mean field theory with...

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mentioning

confidence: 52%

Evidence of a Pressure-Induced Metallization Process in MonoclinicVO2

Arcangeletti¹,

Baldassarre²,

Castro³

et al. 2007

Phys. Rev. Lett.

191

171

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“…However, a precise quantitative understanding of how this scheme is realized-in particular the roles of electronic correlations and the structural instability in the MIT-remains a matter of debate. [15][16][17][18] A complete understanding of this correlated system is necessary to predict and control the emergent properties as a function of external parameters.…”

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confidence: 99%

Modification of electronic structure in compressively strained vanadium dioxide films

Huffman

Hollingshad

et al. 2015

Phys. Rev. B

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Vanadium dioxide (VO 2 ) undergoes a phase transition between an insulating monoclinic (M 1 ) phase and a conducting rutile phase. Like other correlated electron systems, the properties of VO 2 can be extremely sensitive to small changes in external parameters such as strain. In this work, we investigate a compressively strained VO 2 film grown on [001] quartz substrate in which the phase transition temperature (T c ) has been depressed to 325K from the bulk value of 340K. Infrared and optical spectroscopy reveals that the lattice dynamics of this strained film are very similar to unstrained VO 2 . However, some of the electronic inter-band transitions of the strained VO 2 film are significantly shifted in energy from those in unstrained VO 2 . That the lattice dynamics remain largely unchanged, while the T c and some of the electronic inter-band transitions differ substantially from the bulk values highlight the role of electronic correlations in driving this metal-insulator phase transition.

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“…The MCM phase as evidence of the Mott transition clarifies the controversial problem. MCM differs from Pouget et al's M 2 Mott-Hubbard insulator phase [5,6]. We consider that T can be the paramagnetic Mott insulator with the equally spaced chain structure because T and MCM have the same structure.…”

mentioning

confidence: 99%

“…Actually, even in this case, the MIT was not simultaneous with the SPT in our work [7]. When voltage is applied to a VO 2 -based device [7], the MIT occurs between T (monoclinic semiconductor phase, transient triclinic) [5,6] and MCM (monoclinic and correlated metal) phase with the increase of σ. The SPT happens between MCM and R (rutile tetragonal metal phase) (SPT instability, red-dash line in Fig.…”

mentioning

confidence: 99%

“…The reason why the measured conductivity with doping is continuous is that the magnitude of a local metal conductivity after the MIT is very small because the local area is within about 3nm [1]. Furthermore, the Mott MIT [5][6][7] and the Peierls MIT with the SPT [8,9] have been controversial even in VO 2 as a representative Mott insulator. This is due to ambiguity of relation between MIT and SPT.…”

mentioning

confidence: 99%

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Hole-driven MIT theory, Mott transition in VO2, MoBRiK device

Kim

Lee

et al. 2007

Physica C: Superconductivity

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For inhomogeneous high-Tc superconductors, hole-driven metal-insulator transition (MIT) theory explains that the gradual increase of conductivity with increasing hole doping is due to inhomogeneity with the local Mott system undergoing the first-order MIT and the local non-Mott system. For VO2, a monoclinic and correlated metal (MCM) phase showing the linear characteristic as evidence of the Mott MIT is newly observed by applying electric field and temperature. The structural phase transition occurs between MCM and Rutile metal phases. Devices using the MIT are named MoBRiK.It has been generally accepted that conductivity,σ, and T c for inhomogeneous high-T c superconductors [1] as strongly correlated systems gradually increase with doped hole density in a Mott insulator from under-doping to critical doping [2], although a first-order transition near the Mott insulator had been theoretically suggested [3]. These phenomena seemed to be explained by the Mott-Hubbard (MH) continuous metal-insulator transition (MIT) theory. However, since the MH theory was established for homogeneous system, the theory does not explain the phenomena in inhomogeneous system. The first-order Mott MIT without the structural phase transition (SPT) has not clearly been proved. This paper briefly describes important ideas and physical meanings of the hole-driven MIT theory (extended Brinkman-Rice (BR) picture [4]) named by a reviewer in ref. 7 and explains the above phenomena. An experimental observation is also presented to clarify the Mott MIT.Metal has the electronic structure of one electron per atom in real space, i.e. half filling, which indicates that δq= (q i -q j )=0 where q i and q j are charge quantities at i and j nearest neighbor sites, respectively [4]; there is no charge density wave. The BR picture explains physical properties of a strongly correlated metal, which was developed when n = l for a homogeneous system with one electron per atom, where n is the number of electrons in the Mott system with the electronic structure of metal ( Fig. 1(a) left) and l is the number of lattices in the measurement region [3]. The Mott insulator becomes metal via MIT.When n

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Comment on "VO2: Peierls or Mott-Hubbard? A View from Band Theory"

Cited by 334 publications

References 3 publications

Evidence of a Pressure-Induced Metallization Process in MonoclinicVO2

Evidence of a Pressure-Induced Metallization Process in MonoclinicVO2

Modification of electronic structure in compressively strained vanadium dioxide films

Hole-driven MIT theory, Mott transition in VO2, MoBRiK device

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