Opportunities in vanadium-based strongly correlated electron systems

Brahlek, Matthew; Zhang, Lei; Lapano, Jason; Hai-Tian, Zhang; Engel‐Herbert, Roman; Shukla, Nikhil; Datta, Suman; Paik, Hanjong; Schlom, Darrell G.

doi:10.1557/mrc.2017.2

Cited by 92 publications

(61 citation statements)

References 172 publications

(223 reference statements)

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“…Recently, vanadium dioxide (VO 2 ) has attracted much research attention due to the rich interplay between crystal structure, atomic distortions and electronic properties. [49][50][51][52][53] It was reported that VO 2 can occur in two main phases ( Fig. 1)rutile (R, space group P42/mnm) and monoclinic (M, space group P21/c), which are very close in the VO phase diagram.…”

Section: Crystal Structure Of Vo 2 Hostmentioning

confidence: 99%

Ab initio study of Li, Mg and Al insertion into rutile VO₂: fast diffusion and enhanced voltages for multivalent batteries

Kulish

Koch

Manzhos

2017

Phys. Chem. Chem. Phys.

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Vanadium oxides are among the most promising materials that can be used as electrodes in rechargeable metal-ion batteries. In this work, we systematically investigate thermodynamic, electronic, and kinetic properties associated with the insertion of Li, Mg and Al atoms into rutile VO. Using first-principles calculations, we systematically study the structural evolution and voltage curves of LiVO, MgVO and AlVO (0 < x < 1) compounds. The calculated lithium intercalation voltage starts at 3.50 V for single-atom insertion and decreases to 2.23 V for full lithiation, to the LiVO compound, which agrees well with the experimental results. The Mg insertion features a plateau about 1.6 V up to MgVO and then another plateau-like region at around 0.5 V up to MgVO. The predicted voltage curve for Al insertion starts at 1.98 V, followed by two plateaus at 1.48 V and 1.17 V. The diffusion barrier of Li, Mg and Al in the tunnel structure of VO is 0.06, 0.33 and 0.50 eV, respectively. The demonstrated excellent Li, Mg and Al mobility, high structural stability and high specific capacity suggest promising potential of rutile VO electrodes especially for multivalent batteries.

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Section: Crystal Structure Of Vo 2 Hostmentioning

confidence: 99%

Ab initio study of Li, Mg and Al insertion into rutile VO₂: fast diffusion and enhanced voltages for multivalent batteries

Kulish

Koch

Manzhos

2017

Phys. Chem. Chem. Phys.

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“…This class of oxides bear the seed of a strong electronic correlation and have been widely studied since the early times of X-ray spectroscopy. The electronic transport and the spectroscopic properties of V2O3 [1], VO2 [2] as well as the complex local structure of V2O5 [3] have always attracted interest and still today their investigation is a hot topic in materials science, [4][5][6] with many potentials for technology applications [7]. Among the vanadium oxides, VO2 is one of the most stimulating system.…”

Section: Introductionmentioning

confidence: 99%

“…Among the vanadium oxides, VO2 is one of the most stimulating system. It exhibits a reversible, temperature triggered (67° C) metal insulator transition (MIT) coupled to a structural phase transition (SPT) from the high temperature tetragonal metal phase to the low temperature monoclinic insulator phase characterized also by a clear nanoscale phase separation [7][8][9]. Since its discovery in the late 50s [10] the nature of the VO2 MIT has been object of debate within the scientific community.…”

Section: Introductionmentioning

confidence: 99%

Strain Induced Orbital Dynamics Across the Metal Insulator Transition in Thin VO2/TiO2 (001) Films

D׳Elia

Rezvani

Cossaro

et al. 2020

J Supercond Nov Magn

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VO2 is a strongly correlated material, which undergoes a reversible metal insulator transition (MIT) coupled to a structural phase transition upon heating (T= 67° C). Since its discovery the nature of the insulating state has long been debated and different solid-state mechanisms have been proposed to explain its nature: Mott-Hubbard correlation, Peierls distortion or a combination of both. Moreover, still now there is a lack of consensus on the interplay between the different degrees of freedom: charge, lattice, orbital and how they contribute to the MIT. In this manuscript we will investigate across the MIT the orbital evolution induced by a tensile strain applied to thin VO2 films. The strained films allowed to study the interplay between orbital and lattice degrees of freedom and to clarify MIT properties.

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“…[15][16][17][18] Moreover, oxides are prime cases of strongelectronic-correlation systems. VO2 and V2O3 exhibit sharp, fast and reversible metal insulator transitions (MIT) triggered by temperature 19 and characterized by a nanoscale phase separation. [20][21][22][23] Synthetizing nano-sized samples with a tunable electronic structure is therefore relevant for many applications.…”

Section: Introductionmentioning

confidence: 99%

Interplay among work function, electronic structure and stoichiometry in nanostructured VO_x films

D׳Elia

Cepek

Simone

et al. 2020

Phys. Chem. Chem. Phys.

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The work function is the parameter of greatest interest in many technological applications involving charge exchange mechanisms at the interface. The possibility to produce samples with a controlled work function is then particularly interesting, albeit challenging. We synthetized nanostructured vanadium oxides films by a room temperature Supersonic Cluster Beam Deposition method, obtaining samples with tunable stoichiometry and work function (3.7-7 eV). We present an investigation of the electronic structure of several vanadium oxides films as a function of the oxygen content via in-situ Auger, valence-band photoemission spectroscopy and work function measurements.The experiments probed the partial 3d density of states, highlighting the presence of strong V3d-O2p and V3d-V4s hybridization which influence 3d occupation. We show how controlling the stoichiometry of the sample implies a control over work function, and that the access to nanoscale quantum confinement can be exploited to increase the work function of the sample relative to the bulk analogue. In general, the knowledge of the interplay among work function, electronic structure, and stoichiometry is strategic to match nanostructured oxides to their target applications.

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Opportunities in vanadium-based strongly correlated electron systems

Abstract: Abstract

Cited by 92 publications

References 172 publications

Ab initio study of Li, Mg and Al insertion into rutile VO₂: fast diffusion and enhanced voltages for multivalent batteries

Ab initio study of Li, Mg and Al insertion into rutile VO₂: fast diffusion and enhanced voltages for multivalent batteries

Strain Induced Orbital Dynamics Across the Metal Insulator Transition in Thin VO2/TiO2 (001) Films

Interplay among work function, electronic structure and stoichiometry in nanostructured VO_x films

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Opportunities in vanadium-based strongly correlated electron systems

Abstract: Abstract

Cited by 92 publications

References 172 publications

Ab initio study of Li, Mg and Al insertion into rutile VO2: fast diffusion and enhanced voltages for multivalent batteries

Ab initio study of Li, Mg and Al insertion into rutile VO2: fast diffusion and enhanced voltages for multivalent batteries

Strain Induced Orbital Dynamics Across the Metal Insulator Transition in Thin VO2/TiO2 (001) Films

Interplay among work function, electronic structure and stoichiometry in nanostructured VOx films

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Ab initio study of Li, Mg and Al insertion into rutile VO₂: fast diffusion and enhanced voltages for multivalent batteries

Ab initio study of Li, Mg and Al insertion into rutile VO₂: fast diffusion and enhanced voltages for multivalent batteries

Interplay among work function, electronic structure and stoichiometry in nanostructured VO_x films