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Energetics of phase transitions in BaO through DFT calculations with norm-conserving pseudopotentials: LDA vs. GGA results
Rodrigo Garcia Amorim, Marcos Veríssimo-Alves, José Pedro RinoVolume:
37
Year:
2006
Language:
english
Pages:
355
DOI:
10.1016/j.commatsci.2005.09.006
File:
PDF, 142 KB
english, 2006