1. Crystalline and Electronic Structures of the Al1+xV2Sn2–x (x = 0.19) Intermetallic Compound
- Author
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Marie-Cécile De Weerd, Sylvie Migot, Sašo Šturm, Pascal Boulet, Julian Ledieu, Jaafar Ghanbaja, Emilie Gaudry, Vincent Fournée, Emmanuelle de Clermont Gallerande, Mostafa Oulfarsi, Jean-Marie Dubois, Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Institut de recherche pour le développement [IRD] : UR206-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut de minéralogie et de physique des milieux condensés (IMPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-IPG PARIS-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), and Université de Lorraine (UL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
- Subjects
Ternary numeral system ,Chemistry ,Fermi level ,Intermetallic ,[CHIM.MATE]Chemical Sciences/Material chemistry ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Inorganic Chemistry ,symbols.namesake ,Crystallography ,Ab initio quantum chemistry methods ,Transmission electron microscopy ,0103 physical sciences ,[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] ,Density of states ,symbols ,Orthorhombic crystal system ,Physical and Theoretical Chemistry ,Isostructural ,010306 general physics ,0210 nano-technology ,ComputingMilieux_MISCELLANEOUS - Abstract
A new ternary phase with a composition Al1+xV2Sn2–x (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) A, b = 18.8017(5) A, and c = 6.7005(2) A (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.
- Published
- 2019
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