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most citedTransition pressures and enthalpy barriers for the cd->beta-tin transition in Si and Ge under non-hydrostatic conditions

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physics.comp-ph2009

Ab initio investigation of the groundstate, electronic, and optical properties of polyyne and cumulene prototypes

Carlo Motta, Marco Cazzaniga, Andrea Bordoni +1

We have investigated polyyne and cumulene prototypes based on the density-functional theory. Our independent-particle spectra show that the various carbynes can be distinguished by…