title: High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3.
abstract: The structures of thermoelectric ZnSb and Zn4Sb3have been studied extensively as a function of temperature but not in detail as a function of pressure. High pressure single crystal X-ray diffraction data allow structure refinements of ZnSb and Zn4Sb3up to 12.8(2) GPa and 10.6(2) GPa, respectively, and in contrast to previous reports without any signs of phase transitions. At high pressure a redistribution of Zn in Zn4Sb3is present, which is distinctly different from the thermal response of the structure. Fitting of an equation of state resulted in bulk moduli of 45(2) and 48(1) GPa for ZnSb and Zn4Sb3, respectively.
authors.affiliation: Center for Materials Crystallography and Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark. bo@chem.au.dk.
authors.forename: Mette Andersen
authors.initials: MA
authors.lastname: Borup
authors.affiliation: Center for Materials Crystallography and Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark. bo@chem.au.dk.
authors.forename: Anders Bank
authors.identifier: http://orcid.org/0000-0001-5631-4197
authors.initials: AB
authors.lastname: Blichfeld
authors.affiliation: Center for Materials Crystallography and Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark. bo@chem.au.dk.
authors.forename: Solveig Røgild
authors.initials: SR
authors.lastname: Madsen
authors.affiliation: Center for Materials Crystallography and Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark. bo@chem.au.dk.
authors.forename: Bo Brummerstedt
authors.initials: BB
authors.lastname: Iversen