Structure of Liquid BaTiO3 by First-principles Molecular Dynamics Simulations
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DOI: 10.7566/jpsj.90.044604
Abstract: We calculated the structure of liquid BaTiO3 by first-principles molecular dynamics (FPMD) simulations. Good agreements were obtained if we compare the structure factors [S(Q)s] and the total corre... read more here.
Keywords: batio3 first; principles molecular; first principles; structure ... See more keywords