39 citations · 73 across the 3 of their papers we have counts for
4 papers
Influence of copper on the electronic properties of amorphous chalcogenides
S. I. Simdyankin, M. Elstner, T. A. Niehaus +2
We have studied the influence of alloying copper with amorphous arsenic sulfide on the electronic properties of this material. In our computer-generated models, copper is found in…
A new type of charged defect in amorphous chalcogenides
S. I. Simdyankin, T. A. Niehaus, G. Natarajan +2
We report on density-functional-based tight-binding (DFTB) simulations of a series of amorphous arsenic sulfide models. In addition to the charged coordination defects previously p…
Simulation of the physical properties of the chalcogenide glass AsS using a density-functional-based tight-binding method
S. I. Simdyankin, S. R. Elliott, Z. Hajnal +2
We have used a density-functional-based tight-binding method in order to create structural models of the canonical chalcogenide glass, amorphous (a-)AsS. The models range f…
Global Optimization and the Energy Landscapes of Dzugutov Clusters
Jonathan Doye, David Wales, Sergei Simdyankin
The global minima of clusters bound by a Dzugutov potential form non-compact polytetrahedral clusters mainly composed of interpenetrating and face-sharing 13-atom icosahedra. As th…