CGC_HW1_Answers.doc.docVIP

(Set 1) How to calculate the average coordination number (Z) for typical ChGs? Each constituent atom is supposed to follow the 8-N rule, which is usually true for typical ‘strong covalent’ ChGs. As such, coordination number of As, Ge and S is fixed at 3, 4 and 2, respectively, for the As-S and Ge-S systems. Thus, Z for each system can be calculated as follows; for AsxS1-x for GexS1-x Note that there are some more elaborated equations made to incorporate other glasses, e.g., glasses containing halogen atoms. For more interested students, please refer to papers of Boolchand and/or Mitkova (information can be found from the lecture notes). How many topological thresholds proposed for ChGs? Rigidity percolation threshold; floppy-to-rigid transition Ideal mechanical stability is achieved at Z=2.4 at which the number of inter-atomic force-field constraints per atom equals the number of vector degrees of freedom per atom. Specifically, for Z 2.4, the network is under-constrained (floppy or spongy) whereas, for Z 2.4, the network is over-constrained (rigid) since the rigid cluster becomes continuous. The floppy-to-rigid transition occurs at Z=2.4 where properties would exhibit anomalous behaviors. Structural dimensionality threshold; 2D to 3D transition Assume that ChGs form preferentially low-dimensional structures, e.g., chain or layer rather than 3-dimensional structures, which looks reasonable in many cases. Then, at Z=2.67, a two-dimensional structure appears to become stable in three-dimensional space. More specifically, for Z 2.67, a glass has a low-dimensional structure where various properties would be affected by inter-molecular forces, e.g., secondary forces between chains or layers. For Z 2.67, a glass is supposed to become of a three-dimensional cross-linked structure. Chemical ordering threshold; At the stoichiometric composition in a chalcogenide system where only heteropolar bonds are present, i.e., a maximized chemical order, various properties wo