Discovery of space aromaticity in transition–metal monoxide crystal Nb3O3 enabled by octahedral Nb6 structural units

Hu, Zongxiang; Qian, Guoyu; Li, Shunning; Yang, Luyi; Chen, Xin; Weng, Mouyi; Tan, Wenchang; Pan, Feng

doi:10.1016/j.scib.2019.10.026

Cited by 6 publications

(2 citation statements)

References 41 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…6 Moreover, crystalline Nb 3 O 3 is metallic and becomes superconducting below 1.38 K. 7 Hu et al have proposed in their recent studies that Nb 3 O 3 owes these unusual properties to its space aromaticity that results from the octahedral Nb 6 structural units. 8 According to density functional theory (DFT) calculations, the pseudorock-salt Nb 3 O 3 structure is more stable by approximately 1 eV per NbO unit than the ideal rock-salt Nb 4 O 4 structure. 9 The synthesis of such metastable rock-salt NbO has, therefore, been believed as a challenging task, and, in fact, there have been no examples of its successful synthesis, at least as long as using conventional equilibrium reaction processes.…”

Section: Introductionmentioning

confidence: 99%

“…Moreover, crystalline Nb 3 O 3 is metallic and becomes superconducting below 1.38 K . Hu et al have proposed in their recent studies that Nb 3 O 3 owes these unusual properties to its space aromaticity that results from the octahedral Nb 6 structural units . According to density functional theory (DFT) calculations, the pseudorock-salt Nb 3 O 3 structure is more stable by approximately 1 eV per NbO unit than the ideal rock-salt Nb 4 O 4 structure .…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Elevating the Superconducting Temperature in Epitaxially Stabilized Rock-Salt NbO

Kimura,

Kaminaga,

Kobayashi

et al. 2024

Chem. Mater.

View full text Add to dashboard Cite

Niobium monoxide generally refers to Nb3O3 with a pseudorock-salt structure, which is known as thermodynamically the most stable phase, exhibiting superconductivity below 1.38 K; neither bulk nor thin film form of rock-salt NbO thus has been reported so far. In this study, metastable rock-salt NbO has been successfully synthesized through a nonequilibrium process with vapor deposition. The present synthesis of rock-salt NbO marked its enhancement of superconductivity, whose transition temperature could reach up to 7.4 K, more than 5 times as high as that of the pseudorock-salt Nb3O3. The structure-sensitive electronic properties of the rock-salt NbO will be further discussed not only experimentally but also theoretically with the aid of DFT + U + V calculations.

show abstract