Effects of filling atoms Ba, Ce, Y and substituting atoms Fe, Ni on lattice thermal conductivity of RyMxCo4 − xSb12

Effects of filling atoms with different ionic radiuses Ba, Ce, Y and different substituting atoms Fe, Ni on the lattice thermal conductivity of filled RyMxCo4 − xSb12 are systematically studied. The results show that the lattice thermal conductivity decreases significantly by filling Ba, Ce, Y atoms in Sb-icosahedron voids, and the reducing range of the lattice thermal conductivity increases with the ionic radii of Ba2+, Ce3+ and Y3+ decreasing. The lowest lattice thermal conductivity and strongest rattling actions of filling atoms on scattering of phonons are obtained when the Sb-icosahedron voids are partly filled. The lattice thermal conductivity of RyMxCo4 − xSb12 decreases greatly by substituting Co with Fe or Ni, and the substituting atoms Ni are more effective than Fe in reducing lattice thermal conductivity.