The Crystal Structure of Metallic Tellurium and Selenium and of Strontium and Barium Selenide

Investigation of factors affecting the stability of compounds formed by isovalent substitution in layered oxychalcogenides, leading to identification of Ba3Sc2O5Cu2Se2, Ba3Y2O5Cu2S2, Ba3Sc2O5Ag2Se2 and Ba3In2O5Ag2Se2

“…To account for the effect of the sample on Bragg peak broadening, the uniaxial size and strain parameters were refined. Where impurity peaks were identified, variously BaSe, BaCO 3 and In 2 O 3 , these were modelled using standard crystal structures identified from the inorganic crystal structure database (ICSD), [34][35][36] with lattice, particle size, and phase fraction parameters refined.…”

Magnetic properties of several potential rocksalt half-metallic ferromagnets based on the first-principles calculations

“…Rocksalt SrX (X = O, S, Se, and Te) are typical semiconductors with crystal constants a = b = c. The crystal constants are determined experimentally to be 5.15 Å, [14] 6.02 Å, [15] 6.25 Å, [16] and 6.66 Å, [17] respectively. Their space group is F M 3-M .…”