The range of homogeneity of VO2 and the influence of the composition on the physical properties. II. The change of the physical properties in the range of homogeneity

Brückner, W.; Moldenhauer, W. C.; Wich, Harry; Wolf, E.; Oppermann, H.; Gerlach, U.; Reichelt, W.

doi:10.1002/pssa.2210290107

Cited by 58 publications

(25 citation statements)

References 13 publications

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“…For example, Kimizuka et al (20) reported that from VO to VO the changes of resistivity were from 1.3;10 to 2;10 accompanied with the variances of transition temperatures from 63 to 713C. However, BruK ckner et al (21) observed that from VO to VO the changes of resistivity were from 6.3;10 to 1.3;10 with the variances from 58 to 693C. Phase transition resistivity for polycrystalline VO has not been reported so far, and the e!ects of various stoichiometry VO in both monocrystals and polycrystals on phase transition heat also have not been reported.…”

Section: Transition Behavior Of Various Stoichiometry Vomentioning

confidence: 93%

Preparation and Characterization of VO2 Nanopowders

Zheng¹,

Zhang²,

Zhang³

et al. 2001

Journal of Solid State Chemistry

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Section: Transition Behavior Of Various Stoichiometry Vomentioning

confidence: 93%

Preparation and Characterization of VO2 Nanopowders

Zheng¹,

Zhang²,

Zhang³

et al. 2001

Journal of Solid State Chemistry

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“…At 340 K, VO 2 exhibits a transition from a monoclinic semiconductor (M 1 ) phase to a metallic phase with rutile structure (R) . The phase transition is accompanied by a change from an antiferromagnetic to a paramagnetic spin state .…”

Section: Introductionmentioning

confidence: 99%

Critical Assessment of the DFT + U Approach for the Prediction of Vanadium Dioxide Properties

Stahl

Bredow

2019

J Comput Chem

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In a previous study (Stahl and Bredow, Chem. Phys. Lett. 2018, 695, 28–33), we have studied structural, energetic, and electronic properties of two vanadium dioxide VO2 polymorphs with modified global and range‐separated hybrid functionals. Since hybrid methods are computationally demanding, we evaluate the computationally more efficient DFT + U method in the present study. We assessed the widely used Dudarev PBE + U approach with a literature value of the effective Hubbard parameter Ueff = 3.4 eV. We compared the PBE + U results for the two VO2 polymorphs with our previous results, a self‐consistent hybrid functional sc‐PBE0, and the meta‐GGA functional SCAN. It was found that the PBE + U method yields a strongly distorted monoclinic phase and does not reproduce the metal‐to‐insulator transition of VO2 correctly, even with modified values of Ueff. On the other hand, sc‐PBE0 and SCAN describe the relative stability and the electronic structure of both polymorphs correctly and also provide reasonable lattice parameters. The functional SCAN yields the optimal balance between computational efficiency and accuracy. © 2019 The Authors. Journal of Computational Chemistry published by Wiley Periodicals, Inc.

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“…More detailed information on the experimental conditions was given in an earlier paper of ours [12].…”

mentioning

confidence: 99%

METAL-NONMETAL TRANSITION IN Fe- AND Al-DOPED VO₂

Brückner¹,

Gerlach²,

Moldenhauer³

et al. 1976

J. Phys. Colloques

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R6sum6.-Les proprietes structurales, electriques, thermo-Clectriques et magnetiques sont determinees dans des monocristaux des systkmes V I-~F~~O Z (X = 0 ... 0.035) et V I-~A~~O~ (X W 0.007) preparks par transport chimique avec TeC14. Les phases M 1, T, M 2 et R apparaissent. Les diagrammes de phases de V I-~M~: + O~ (Me = Fe, AI, Ga, Cr) avec la transition semi-conducteursemi-conducteur T-t M 2 et la transition semi-conducteur-metal M 2 + R sont compares. Les proprietes electriques et thermo-electriques des systkmes etudies dans les phases semi-conductrices sont determinees par la mobilite trks faible des trous dans la bande 3 d du V pour assurer la neutralit6 de charge lors de la substitution de Me3i. Cette mobilite est anisotrope et elle conduit particulikrement h I'anisotropie du pouvoir thermo-Clectrique.

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The range of homogeneity of VO2 and the influence of the composition on the physical properties. II. The change of the physical properties in the range of homogeneity

Cited by 58 publications

References 13 publications

Preparation and Characterization of VO2 Nanopowders

Preparation and Characterization of VO2 Nanopowders

Critical Assessment of the DFT + U Approach for the Prediction of Vanadium Dioxide Properties

METAL-NONMETAL TRANSITION IN Fe- AND Al-DOPED VO₂

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The range of homogeneity of VO2 and the influence of the composition on the physical properties. II. The change of the physical properties in the range of homogeneity

Cited by 58 publications

References 13 publications

Preparation and Characterization of VO2 Nanopowders

Preparation and Characterization of VO2 Nanopowders

Critical Assessment of the DFT + U Approach for the Prediction of Vanadium Dioxide Properties

METAL-NONMETAL TRANSITION IN Fe- AND Al-DOPED VO2

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Product

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METAL-NONMETAL TRANSITION IN Fe- AND Al-DOPED VO₂