Efficient systematic scheme to construct second-principles lattice dynamical models
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DOI: 10.1103/physrevb.95.094115
Abstract: We start from the polynomic interatomic potentials introduced by Wojdel et al. [J. Phys. Condens. Matt. 25, 305401(2013)] and take advantage of one of their key features -- namely, the linear dependence of the energy… read more here.
Keywords: efficient systematic; scheme construct; scheme; lattice dynamical ... See more keywords