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We report the first measurements of the dynamics of liquid germanium (l-Ge)by quasi-elastic neutron scattering on time-of-flight and triple-axisspectrometers. These results are compared with simulation data of the structureand dynamics of l-Ge which have been obtained with ab initio density functionaltheory methods. The simulations accurately reproduce previous results fromelastic and inelastic scattering experiments, as well as the q-dependence ofthe width of the quasi-elastic signal of the new experimental data. In order tounderstand some special features of the structure of the liquid we have alsosimulated amorphous Ge. Overall we find that the atomistic model representsaccurately the average structure of real l-Ge as well as the time dependentstructural fluctuations. The new quasi-elastic neutron scattering data allowsus to investigate to what extent simple theoretical models can be used todescribe diffusion in l-Ge.Comment: 11 pages, 14 figure

physical review. b, condensed matter and materials physics

Structure and dynamics of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>l</mml:mi><mml:mtext>−</mml:mtext><mml:mi mathvariant="normal">Ge</mml:mi></mml:mrow></mml:math>: Neutron scattering experiments and<i>ab initio</i>molecular dynamics simulations

Structure and dynamics ofl−Ge: Neutron scattering experiments andab initiomolecular dynamics simulations