| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1332046 | Journal of Solid State Chemistry | 2008 | 5 Pages |
Abstract
The phase transition in a mixed-valence tetranuclear compound V4S9Br4 was studied by DFT calculations and low-temperature high-precision calorimetry. According to DFT data, the phase transition of the low-temperature modification may be accompanied by C4v→C2v symmetry lowering and electron spin pairing. A weak exchange-correlation interaction discovered between μ4-S2− and S2− ions in V4S9Br4 may play an important part in multicentered interactions. Experimental calorimetric data show that the phase transition is a displacive phase transformation.
Graphical abstractDysinaptic basins of electron spin pairing in low-temperature phase V4S9Br4 (arrows).Figure optionsDownload full-size imageDownload as PowerPoint slide
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
S.G. Kozlova, S.P. Gabuda, G.A. Berezovskii, D.P. Pischur, Y.V. Mironov, A. Simon, V.E. Fedorov,