Phonon and Thermodynamic Properties in YNi2B2C and LuNi2B2C from First-Principles Study
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DOI: 10.1007/s10948-017-4442-5
Abstract: The thermodynamic properties of the tetragonal RNi2B2C (R=Y, Lu) are investigated by means of the density-functional theory (DFT) and density-functional perturbation theory (DFPT) within the quasiharmonic approximation (QHA). The phonon dispersion curves and phonon total… read more here.
Keywords: thermodynamic properties; luni2b2c first; properties yni2b2c; phonon thermodynamic ... See more keywords