Investigation of thermophysical, electronic and lattice dynamic properties for CaX2Si2 (X=Ni,Zn,Cu,Ag,Au) via first-principles calculations

Numerical solution of the inverse problem of reconstructing phonon density of states from experimental heat capacity

“…Determination of information on g(ω) plays a key role in the study of various phenomena in solids. The phonon density of states can be determined using various methods [1][2][3][4][5][6][7][8][9][10][11][12][13], with the most important approach based on neutron scattering [1][2][3]. Information on g(ω) can also be obtained from theoretical investigations [4][5][6][7][8][9][10].…”