Theoretical study of the ground-state structures and properties of niobium hydrides under pressure
نویسندگان
چکیده
Guoying Gao,1,2 Roald Hoffmann,2,* N. W. Ashcroft,3,* Hanyu Liu,1 Aitor Bergara,4,5,6 and Yanming Ma1,* 1State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, People’s Republic of China 2Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York, 14853, USA 3Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York, 14853, USA 4Materia Kondentsatuaren Fisika Saila, Zientzia eta Teknologia Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU), 644 Postakutxatila, 48080 Bilbo, Basque Country, Spain 5Donostia International Physics Center (DIPC), Paseo de Manuel Lardizabal, 20018, Donostia, Basque Country, Spain 6Centro de Fisica de Materiales CSIC-UPV/EHU, 1072 Posta kutxatila, E-20080 Donostia, Basque Country, Spain (Received 24 February 2013; revised manuscript received 4 October 2013; published 12 November 2013)
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