RT Journal Article
T1 High-pressure ilmenite-type MnVO3: crystal and spin structures in the itinerant-localized regimes
A1 Solana Madruga, Elena
A1 Mentré, Olivier
A1 Arévalo López, Eugenia P.
A1 Khalyavin, Dmitry
A1 Fauth, Francois
A1 Missiul, Alexandr
A1 Arévalo López, Ángel M.
AB Herein we report the Peierls-like transition in the high-pressure ilmenite-type MnVO3. The first-order structural transition from a low-temperature P[1 with combining macron] to a high-temperature R[3 with combining macron] occurs at 475 K, accompanied by a semiconductor to metal-like transition. The triclinic distorted phase presents a V–V dimerization with a short ∼2.85 Å bond formation at 300 K. Below 80 K MnVO3 orders antiferromagnetically with a small ferromagnetic component. Neutron diffraction reveals that both Mn and V cations contribute to the magnetic ordering, contrary to what expected on the V–V dimer formed. Extended Hückel and DFT calculations expose that the formation of covalent pairing is only partially achieved, contrary to the MgVO3 and CoVO3 counterparts.
PB RSC
YR 2023
FD 2023-06-15
LK https://hdl.handle.net/20.500.14352/134289
UL https://hdl.handle.net/20.500.14352/134289
LA eng
NO Elena Solana-Madruga, Olivier Mentré, Eugenia P. Arévalo-López, Dmitry Khalyavin, Francois Fauth, Alexandr Missiul, Angel M. Arévalo-López. J. Mater. Chem. C, 2023, 11, 9238. DOI: 10.1039/d3tc01541f
NO ALBA
NO ISIS
NO The Chevreul Institute
DS Docta Complutense
RD 7 abr 2026