The use of coherent x-ray beams has been greatly developing for the past decades. They are now used by a wide scientific community to study biological materials, phase transitions in crystalline materials, soft matter, magnetism, strained structures, or nano-objects. Different kinds of measurements can be carried out: x-ray photon correlation spectroscopy allowing studying dynamics in soft and hard matter, and coherent diffraction imaging enabling to reconstruct the shape and strain of some objects by using methods such as holography or ptychography. In this article, we show that coherent x-ray diffraction (CXRD) brings a new insight in another scientific field: the detection of single phase defects in bulk materials. Extended phase objects such as dislocations embedded in the bulk are usually probed by electron microscopy or X-ray topography. However, electron microscopy is restricted to thin samples, and x-ray topography is resolution-limited. We show here that CXRD brings much more accurate information about dislocation lines (DLs) in bulk samples and opens a route for a better understanding of the fine structure of the core of bulk dislocations.
Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D) materials from layered bulk structures, ternary layered transition metal borides, known as MAB phases, have come under scrutiny as a means of obtaining novel 2D transition metal borides, so-called MBene. Here, based on a set of phonon calculations, we show the dynamic stability of many Al-containing MAB phases, MAlB (M = Ti, Hf, V, Nb, Ta, Cr, Mo, W, Mn, Tc), M$_2$AlB$_2$ (Sc, Ti, Zr, Hf, V, Cr, Mo, W, Mn, Tc, Fe, Rh, Ni), M$_3$Al$_2$B$_2$ (M = Sc, T, Zr, Hf, Cr, Mn, Tc, Fe, Ru, Ni), M$_3$AlB$_4$ (M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, Mn, Fe), and M$_4$AlB$_6$ (M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo). By comparing the formation energies of these MAB phases with those of their available competing binary M$-$B and M$-$Al, and ternary M$-$Al$-$B phases, we find that some of the Sc-, Ti-, V-, Cr-, Mo-, W-, Mn-, Tc-, and Fe-based MAB phases could be favorably synthesized in an appropriate experimental condition. In addition, by examining the strengths of various bonds in MAB phases via crystal orbital Hamilton population and spring constant calculations, we find that the B$-$B and then M$-$B bonds are stiffer than the M$-$Al and Al$-$B bonds. The different strength between these bonds implies the etching possibility of Al atoms from MAB phases, consequently forming various 2D MB, M$_2$B$_3$, and M$_3$B$_4$ MBenes. Furthermore, we employ the nudged elastic band method to investigate the possibility of the structural phase transformation of the 2D MB MBenes into graphene-like boron sheets sandwiched between transition metals and find that the energy barrier of the transformation is less than $0.4$ eV/atom.