papers
Publications (3)
cond-mat.mtrl-sci2018
First-principles study of CO and OH adsorption on In-doped ZnO surfaces
R. Saniz, N. Sarmadian, B. Partoens +6
We present a first-principles computational study of non-polar ZnO (100) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position o…
cond-mat.mtrl-sci2013
Engineered spatial inversion symmetry breaking in an oxide heterostructure built from isosymmetric room-temperature magnetically ordered components
J. Alaria, P. Borisov, M. S. Dyer +10
The oxide heterostructure [(YFeO)(LaFeO)], which is magnetically ordered and piezoelectric at room temperature, has been constructed from two weak ferromagne…
cond-mat.mtrl-sci2013
Synthesis and properties of charge-ordered thallium halide perovskites, CsTl1+0.5Tl3+0.5X3 (X = F, Cl)- theoretical precursors for superconductivity?
M. Retuerto, T. Emge, J. Hadermann +14
Recently CsTlCl3 and CsTlF3 perovskites were theoretically predicted to be potential superconductors if they are optimally doped. The synthesis of these two compounds, together wit…