Local structure of NaCl-type crystalline Ge2 Sb2 Te5 has been studied by the atomic pair distribution function analysis of pulsed neutron powder diffraction data. We have found the large displacement of germanium atoms in this crystalline phase. Usually, such a large lattice distortion has disadvantages for the electric conductivity. The electronic band structure, however, implies that this significant distortion in addition to the lattice defect at Na site reduces only thermal conductivity, while the highly ordered tellurium atoms at Cl site keep high electric conductivity.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy (miscellaneous)