Thomas Frauenheim

activity

20032005

most citedSimulation of the physical properties of the chalcogenide glass As

_{2}

_{3}

using a density-functional-based tight-binding method

39 citations · 73 across the 3 of their papers we have counts for

collaborators

3 papers

cond-mat.dis-nn2005★ 10 cited

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…

cond-mat.mtrl-sci2004★ 24 cited

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…

cond-mat2003★ 39 cited

Simulation of the physical properties of the chalcogenide glass As $_{2}$ S $_{3}$ 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-)As $_{2}$ S $_{3}$ . The models range f…

Influence of copper on the electronic properties of amorphous chalcogenides

A new type of charged defect in amorphous chalcogenides

Simulation of the physical properties of the chalcogenide glass As2​S3​ using a density-functional-based tight-binding method

Simulation of the physical properties of the chalcogenide glass As $_{2}$ S $_{3}$ using a density-functional-based tight-binding method