Abstract
The semivalent oxyphosphate V2OPO4 is found to have long-range V2+/V(3+)charge ordering up to 605 K where a monoclinic to tetragonal structural transition and a switch from positive to negative' thermal expansion are observed. V-V bonding within orbital polymer chains is proposed as the key factor in the novel switch of thermal expansion behavior, as loss of V-V bonding enables transverse oxygen motions to dominate the thermal' expansion at high temperatures. Ferrimagnetic order of V2+ spin up and V3+ spin down states is observed below a magnetic ordering transition at 164 K, and susceptibility measurements evidence local spin pairing correlations to higher temperatures.
Original language | English |
---|---|
Pages (from-to) | 636-641 |
Number of pages | 6 |
Journal | Journal of the American Chemical Society |
Volume | 140 |
Issue number | 2 |
Early online date | 19 Dec 2017 |
DOIs | |
Publication status | Published - 17 Jan 2018 |
Keywords / Materials (for Non-textual outputs)
- ELECTRONIC-STRUCTURE CALCULATIONS
- POPULATION ANALYSIS
- TRANSITION
- OXIDES
Fingerprint
Dive into the research topics of 'Charge Order and Negative Thermal Expansion in V2OPO4'. Together they form a unique fingerprint.Profiles
-
Paul Attfield
- School of Chemistry - Chair of Materials Science at Extreme Conditions
- EaStCHEM
Person: Academic: Research Active