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In spintronics, one of the long standing questions is why the MgO-based magnetic tunnel junction (MTJ) is almost the only option to achieve a large tunnelling magnetoresistance (TMR) ratio at room temperature (RT) but not as large as the theoretical prediction. This study focuses on the development of an almost strain-free MTJ using metastable bcc CoxMn100-x ferromagnetic films. We have investigated the degree of crystallisation in MTJ consisting of CoxMn100-x/MgO/CoxMn100-x (x = 66, 75, 83 and 86) in relation to their TMR ratios. Cross-sectional high resolution transmission electron microscopy (HRTEM) reveals that almost consistent lattice constants of these layers for 66 < x < 83 with maintaining large TMR ratios of 229% at RT, confirming the soft nature of the CoxMn100-x layer with some dislocations at the MgO/Co75Mn25 interfaces. For x = 86, on the other hand, the TMR ratio is found to be reduced to 142% at RT, which is partially attributed to the increased number of the dislocations at the MgO/Co86Mn14 interfaces and amorphous grains identified in the MgO barrier. Ab-initio calculations confirm the crystalline deformation stability across a broad compositional range in CoMn, proving the advantage of a strain-free interface for much larger TMR ratios.

A new mechanism for reactivity of multiply twinned gold nanoparticles resulting from their inherently strained structure provides a further explanation of the surprising catalytic activity of small gold nanoparticles. Atomic defect structural studies of surface strains and quantitative analysis of atomic column displacements in the decahedral structure observed by aberration corrected transmission electron microscopy reveal an average expansion of surface nearest neighbor distances of 5.6 percent, with many strained by more than 10 percent. Density functional theory calculations of the resulting modified gold d-band states predict significantly enhanced activity for carbon monoxide oxidation. The new insights have important implications for the applications of nanoparticles in chemical process technology, including for heterogeneous catalysis.