An experimental and Ab-initio study of Electronic and Magnetic properties of FeGa3

Abstract

Electronic structure of FeGa3 has been studied using experiments and ab-initio calculations. Magnetization measurements show that FeGa3 is inherently diamagnetic in nature. Our studies indicate that the previously reported magnetic moment on the Fe atoms in FeGa3 is not an intrinsic property of FeGa3, but is primarily due to the presence of disorder, defects, grain boundaries etc that break the symmetry about the Fe dimers. Analysis of the results obtained from magnetic measurements, photoelectron spectroscopy, Fe K-edge X-ray absorption near edge spectroscopy and ab-initio calculations clearly indicates that, the effects of on-site Coulomb repulsion between the Fe 3d electrons do not play any role in determining the electronic and magnetic properties of FeGa3. Detailed analysis of results of single crystal and poycrystalline FeGa3, helps to resolve the discrepancy in the electronic and magnetic properties in FeGa3 existing in the literature, consistently.

Boosting Water Oxidation through In Situ Electroconversion of Manganese Gallide: An Intermetallic Precursor Approach

“…[14] In Ga 2p, the binding energy of 1116.4 eV attained for Ga 2p 3/2 is very similar to that of elemental Ga (1116.4 eV) and the second peak observed at the binding energy of 1118.2 eV could be corroborated with Ga bonded to an oxo species due to surface passivation. [20] As intermetallic MnGa 4 maintains metallic character,M nm etal (cubic, I-43m,N o. 217) was directly chosen as ar eference to deduce ac lear advantage of assynthesized phase and characterized thoroughly (Figures S16-S22).…”

Liquid Metal-Based Magnetorheological Fluid with a Large Magnetocaloric Effect

“…They are different from FeGa 3 (707.15 and 720.25 eV) or Fe 3 Ga (707.7 and 720.8 eV). 37,38 However, comparing to Fe 2p in the pure magnetic sheet whose peaks located at 706.6, 712.6, and 719.9 eV (Figure S6b), the 2p 1/2 and 2p 3/2 peaks are almost identical.…”

“…35 For Ga 2p spectra in Figure 4f, the peaks located at 1116.1 and 1142.9 eV correspond to the Ga−Mn bond in MnGa alloy, and the peak at 1130 eV is denoted as the loss feature. 34,36,37 The test results of Mn 2p and Ga 2p suggest that MnGa alloy is formed by the intermetallic reaction. Fe 2p spectra from the reacted sheet have three characteristic peaks at 706.6, 714, and 719.7 eV (Figure S6a).…”

Steigerung der Wasseroxidation durch In‐situ‐Elektrokonversion eines Mangangallids: Ein intermetallischer Vorläuferansatz

“…[19] Interessanterweise deutet die hçhere Oxidationsstufe von Mn im Vergleich zu der durch XANES bestimmten auf eine unvermeidbare Luftoxidation an der Oberfläche der Partikel hin (XPS ist oberflächensensitiv), die füri ntermetallische Verbindungen typisch ist. [14] In Ga 2p ist die fürGa2p 3/2 erreichte Bindungsenergie von 1116.4 eV ähnlich zu elementarem Ga (1116.4 eV) und die zweite Bindungsenergie von 1118.2 eV korreliert mit durch Oberflächenpassivierung an Oxo-Spezies gebundenem Ga. [20] Aufgrund des metallischen Charakters von MnGa 4 ,w urde Mn-Metall (kubisch, I-43m,N r. S27). [21] Ausden C dl -Werten und der spezifischen Kapazitätdes Materials (C s ) pro Flächeneinheit wurde die ECSA berechnet, die 2.7 cm 2 fürMnGa 4 /NF und 1.54 cm 2 fürMn/NF betrug.Dies weist auf eine hçhere Dichte von aktiven Zentren sowie eine effizientere Adsorption und Übertragung von Reaktanten in MnGa 4 hin, was zu einer Verbesserung der elektrochemischen Reaktion führt.…”