Crystalline and Electronic Structures of the Al1+V2Sn2- (x = 0.19) Intermetallic Compound
Pascal Boulet1,2, Marie-Cécile de Weerd1,2, Émilie Gaudry1,2
1Institut Jean Lamour , UMR 7198 CNRS-Université de Lorraine , Campus Artem, 2 allée André Guinier , BP 50840, 54011 Nancy Cedex , France.
Abstract:
A new ternary phase with a composition Al1+V2Sn2- (x = 0.19) has been found during investigation of the Al-V-Sn ternary system. Single-crystal X-ray diffraction measurements reveal that this ternary phase crystallizes with an orthorhombic structure with a = 5.5931(1) Å, b = 18.8017(5) Å, and c = 6.7005(2) Å (space group Cmce). This compound is thus isostructural to the GaV2Sn2 structure type, showing a layered structure composed of vanadium cluster bands formed with pentagonal faces intercalated by Sn atom layers. High-resolution transmission electron microscopy measurements confirm the orthorhombic structure. Regarding lattice perfection, no dislocation could be identified within the probed Al1.19V2Sn1.81 single-crystal lamella. Ab initio calculations reveal a reduction of the density of states at the Fermi level, which could be attributed to both a Hume-Rothery effect combined with strong spd hybridization.
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