Properties of Laves phase compounds can be tailored by alloying and microstructural engineering. V-substituted cubic TiCr 2 Laves phase has been studied to understand the location of V atoms in the lattice, by structural imaging and first-principle computations. Even though Ti, V and Cr appear next to each other in the periodic table, V preferentially replaces the Ti lattice producing anti-site defects. The defect formation energy for V substitution in Ti and in Cr lattice is 0.29 and 0.40 eV, respectively. V replacement in the Ti lattice generates atomic scale strain. Atomic numbers of V, Ti and Cr being very close, this phase is not quite suitable for incoherent imaging for understanding the structure and the chemistry. Instead, difference in channelling behaviour of electron waves along the Ti columns and along the Cr columns could be exploited to preferentially image the individual atom columns. Nature of the exit phase wave, phase and amplitude has been used to understand the contrast qualitatively. The intensity distribution of any particular atom column that is disturbed by the presence of foreign atom has been used to detect the position of V atoms. This method could be extended to study other Laves phases and complex intermetallic structures to understand their structure, defects and interfaces.
IntroductionLaves phases, a group of topologically close-pack hard intermetallic compounds with AB 2 stoichiometry, are known to form at a particular radius ratio of A and B (r A /r B = 1.22) atoms [1]. However, a considerable deviation from ideal radius ratio (r A /r B = 1.05-1.67) [2] is observed in practice and the phase can often accommodate non-stoichiometry [3]. There are three allotropic polymorphs of Laves phase i.e. cubic (cF24), hexagonal (hP12) and double-hexagonal (hP24) [2]. Since the discovery of this phase, more than a thousand binary and ternary Laves phase forming compounds with a range of interesting properties and varying crystal chemistry have been reported in the literature [4]. These attributes could be exploited to design single-phase or multiphase