529 citations · 638 across the 3 of their papers we have counts for
3 papers
Lattice stability and formation energies of intrinsic defects in Mg2Si and Mg2Ge via first principles simulations
Philippe Jund, Romain Viennois, Catherine Colinet +3
We report an ab initio study of the semiconducting Mg2X (with X = Si, Ge) compounds and in particular we analyze the formation energy of the different point defects with the aim to…
Neutron Diffraction Measurements and First Principles Study of Thermal Motion of Atoms in Select M_{n+1}AX_n and Binary MX Transition Metal Carbide Phases
Nina J. Lane, Sven C. Vogel, Gilles Hug +4
Herein, we compare the thermal vibrations of atoms in select ternary carbides with the formula Mn+1AXn ("MAX phases," M = Ti, Cr; A = Al, Si, Ge; X = C, N) as determined from first…
Phonon-phonon interactions in transition metals
Laurent Chaput, Atsushi Togo, Isao Tanaka +1
In this paper the phonon self energy produced by anharmonicity is calculated using second order many body perturbation theory for all bcc, fcc and hcp transition metals. The symmet…