First-principles prediction of stable SiC cage structures and their synthesis pathways
نویسندگان
چکیده
Pascal Pochet,1,* Luigi Genovese,2,† Damien Caliste,1 Ian Rousseau,1 Stefan Goedecker,3 and Thierry Deutsch1 1Laboratoire de Simulation Atomistique (L_Sim), SP2M, INAC, CEA-UJF, 17 Av. des Martyrs, 38054 Grenoble, France 2European Synchrotron Radiation Facility, 6 rue Horowitz, BP 220, 38043 Grenoble, France 3Institut für Physik, Universität Basel, Klingelbergstr. 82, 4056 Basel, Switzerland Received 3 March 2010; revised manuscript received 15 June 2010; published 21 July 2010
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