2021
DOI: 10.1021/jacs.1c10977
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Cation Dimerization in a 3d1 Honeycomb Lattice System

Abstract: In one-dimensional systems with partially filled valence bands, simultaneous changes occur in the electronic states and crystal structures. This is known as the Peierls transition. The Peierls transition (cation dimerization) in VO2, which has a quasi-one-dimensional structure, is well-known, and its mechanism has been extensively discussed. Honeycomb lattices exhibit the Peierls instability owing to their low dimensionality. However, cation dimerization is rare in the 3d1 honeycomb lattice system. Here, we pe… Show more

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Cited by 17 publications
(20 citation statements)
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“…The short V–V(1) length was 2.736(11) Å. The lengths of the V–V dimer in other compounds had similar values at room temperature, for instance, 2.779(7) Å for MgVO 3 and ∼2.65 Å for VO 2 . Hence, V–V dimerization occurred in CoVO 3 through the formation of direct metal–metal bonding.…”
Section: Results and Discussionmentioning
confidence: 82%
See 3 more Smart Citations
“…The short V–V(1) length was 2.736(11) Å. The lengths of the V–V dimer in other compounds had similar values at room temperature, for instance, 2.779(7) Å for MgVO 3 and ∼2.65 Å for VO 2 . Hence, V–V dimerization occurred in CoVO 3 through the formation of direct metal–metal bonding.…”
Section: Results and Discussionmentioning
confidence: 82%
“…The space group was determined as P , which was the same in ilmenite-type MgVO 3. The lattice parameters were a = 4.9822(2) Å, b = 5.4783(2) Å, c = 5.0487(2) Å, α = 92.028(2)°, β = 121.171(2)°, and γ = 62.114(8)°. Insignificant antisite defects, 6(3)%, were observed for each site.…”
Section: Results and Discussionmentioning
confidence: 99%
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“…The constituent atoms, coordination environments, and polyhedral connectivity play important roles in building the crystal structures of solid-state materials, and in turn, govern their physical properties [1][2][3][4][5][6] . Based on different combinations of these factors and the property of interest, the materials can display different relationships between structural dimensionality and property dimensionality, thus being effectively zero-dimensional (0D), one-dimensional (1D), twodimensional (2D), or three-dimensional (3D) in the character of their properties, even when the crystal structure has a different dimensionality (The superconducting copper oxides are good examples of this -the electronic system is based on 1D (chain) and 2D (plane) electronic states whose influence depends on what property it is that is being probed, but the crystal structure itself is three-dimensional 4,[7][8][9] ).…”
Section: Introductionmentioning
confidence: 99%