Magnetic ground state of nanosized b-Fe 2 O 3 and its remarkable electronic features Ond ˇ rej Malina, a Ji ˇ r ´ ı Tu ˇ cek, * a Petr Jakubec, a Josef Ka ˇ sl ´ ık, a Ivo Med ˇ r ´ ık, a Hiroko Tokoro, b Marie Yoshikiyo, b Asuka Namai, b Shin-ichi Ohkoshi b and Radek Zbo ˇ ril * a To date, iron oxides have been extensively investigated for promising high applicability in various scientic and industrial elds. In general, several forms can be distinguished with respect to their crystal structure, which drives their specic physical (in particular, magnetic) properties. In this study, the pure b-Fe 2 O 3 phase, prepared in a nanoparticle form by a solid-state synthetic strategy, was investigated by employing 57 Fe M ¨ ossbauer spectroscopy, magnetization measurements, transmission electron microscopy, X-ray powder diraction, heat capacity measurements, and cyclic voltammetry. It is revealed that below the N ´ eel transition temperature, b-Fe 2 O 3 behaves as a canted antiferromagnet with a small net magnetic moment. For further possible utilization in photoelectrochemical applications, an estimation of the b- Fe 2 O 3 band gap by cyclic voltammetry was performed, which was measured to be 2.2 eV. Introduction Iron oxides belong to a family of prominent materials that have been studied for decades. The interest in exploring them stems from the appealing physicochemical properties they exhibit. 1 Among them, their electronic and magnetic features have roused eminent attention not only in the scientic world but have also inspired the development of novel applications and the introduction of new technologies in which these features play an irreplaceable role. 1 Moreover, they show interesting biochemical properties (e.g., biodegradability, biocompatibility, and non-toxic characteristics) favourable for their exploitation in various biomedical elds where other materials can hardly compete with them. 2,3 Moreover, when synthesized as nano- objects (nanoparticles, thin lms, nanowires, and nanorods), they become equipped with new material characteristics (e.g., superparamagnetism) driven by nite-size and surface eects, 4 remarkably extending their application potential. Iron(III) oxide shows a polymorphism, a feature connected with the existence of two or more phases that are isochemical in nature but possess various physical behaviors, which originate from dierent crystal structures they possess. 1,59 Apart from the amorphous Fe 2 O 3 form, four crystalline iron(III) oxide phases are recognized so far: 1,59 (i) a-Fe 2 O 3 (hematite), (ii) b-Fe 2 O 3 , (iii) g-Fe 2 O 3 (maghemite), and (iv) 3-Fe 2 O 3 . The a-Fe 2 O 3 and g-Fe 2 O 3 phases are the most frequently occurring polymorphs of iron(III) oxide; they can be readily found in nature and exist in both bulk and nanosized forms. Conversely, b-Fe 2 O 3 and 3-Fe 2 O 3 phases are rare forms with scarce abundance, which are stable only in nanosized dimensions. Upon heating, irreversible poly- morphous transformations are commonly observed when b-Fe 2 O 3 , g-Fe 2 O 3 , and 3-Fe 2 O 3 transform directly or via inter- mediates (i.e., other iron(III) oxide polymorphs, existing in a certain temperature range) to a-Fe 2 O 3 as the most thermody- namically stable iron(III) oxide form. 5,10,11 b-Fe 2 O 3 was rst reported in the pioneering work of Bonnevie-Svensen in 1956. 12 b-Fe 2 O 3 shows a body-centered, cubic crystal structure of a bixbyite type with a lattice constant of a ¼ 9.393 ˚ A, which falls into the Ia 3 space group. 5,7 The two crystallographically nonequivalent cation sites are recognized in the b-Fe 2 O 3 crystal structure, i.e., the b-sites and d-sites, both occupied with Fe 3+ ions in a high-spin state (S ¼ 5/2). They dier in the degree of local symmetry; 5,7 whereas cation b-sites show C 3i symmetry, cation d-sites are describable in terms of C 2 symmetry. In the b-Fe 2 O 3 unit cell, there are three times the number of d-sites than b-sites (24 Fe 3+ d-site cations and 8 Fe 3+ b-site cations), with all sites lled and no vacant positions remaining. 5,7,13,14 The dierence in site symmetry implies the dierent distortion of cation polyhedron related to the b- and d- sites; that is, b-sites are more distorted than d-sites. 5 The b- Fe 2 O 3 phase is thermally unstable and in most cases, trans- forms directly into a-Fe 2 O 3 when the temperature exceeds 500 C. 5,10 However, for b-Fe 2 O 3 nanoparticles with hollow a Regional Centre of Advanced Technologies and Materials, Departments of Experimental Physics and Physical Chemistry, Faculty of Science, Palacky University, 17. listopadu 1192/12, 771 46 Olomouc, Czech Republic. E-mail: jiri.tucek@upol.cz; radek.zboril@upol.cz b Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan Electronic supplementary information (ESI) available: Temperature evolution of the hyperne magnetic eld and quadrupole-splitting parameter for both crystallographically non-equivalent sites, values of the M¨ ossbauer hyperne parameters derived from spectral tting, and values of the eective mass of the ossbauer probed atom and Debye temperature. See DOI: 10.1039/c5ra07484c Cite this: RSC Adv. , 2015, 5, 49719 Received 24th April 2015 Accepted 19th May 2015 DOI: 10.1039/c5ra07484c www.rsc.org/advances This journal is © The Royal Society of Chemistry 2015 RSC Adv. , 2015, 5, 4971949727 | 49719 RSC Advances PAPER Published on 19 May 2015. Downloaded by Univerzita Palackého v Olomouci on 10/06/2015 10:32:34. View Article Online View Journal | View Issue