Authors:	Osten, Felix L. Panthöfer, Martin Ksenofontov, Vadim Möller, Angela
Title:	Site-preferences in the mixed-valent series FeMo1−nVnO4 : controlling the formation of the α-polymorph and the charge localization
Online publication date:	30-Jan-2023
Year of first publication:	2022
Language:	english
Abstract:	The mixed-valent, solid solution series FeMo1−nVnO4 (0≤n≤0.3) was synthesized and characterized by x-ray diffraction, and thermal analysis. Assignments of individual Fe-species stem from 57Fe-Mössbauer spectroscopy and DFT-calculations of the electric field gradients. The incorporation of smaller ions (FeIII, VV) represents an internal “chemical pressure” effect stabilizing the low-temperature α-polymorph with increasing n. The site-preference and distribution of vanadium on individual Mo-sites impacts the α→β transition temperatures around 650 K, and causes distinct differences in charge mobility in this hole-doped semiconductor around 225 K. We assign the charge localization in α-FeMo1−nVnO4 to enhanced electron-phonon coupling within a polaronic scenario.
DDC:	540 Chemie 540 Chemistry and allied sciences
Institution:	Johannes Gutenberg-Universität Mainz
Department:	FB 09 Chemie, Pharmazie u. Geowissensch.
Place:	Mainz
ROR:	https://ror.org/023b0x485
DOI:	http://doi.org/10.25358/openscience-8690
Version:	Published version
Publication type:	Zeitschriftenaufsatz
License:	CC BY-NC-ND
Information on rights of use:	https://creativecommons.org/licenses/by-nc-nd/4.0/
Journal:	Zeitschrift für anorganische und allgemeine Chemie 648 24
Pages or article number:	e202200281
Publisher:	Wiley Weinheim
Issue date:	2022
ISSN:	1521-3749
Publisher DOI:	10.1002/zaac.202200281
Appears in collections:	DFG-491381577-H