activity
20172026
most citedFirst-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180 domain walls in PbTiO ferroelectric thin films

22 citations · 41 across the 12 of their papers we have counts for

collaborators
Showing 2017Show all

2 papers · 1 filter

cond-mat.mtrl-sci2017

Adhesion of the electrodes on diamond device surfaces

Tom Ichibha, Kenta Hongo, Isaac Motochi +3

Appropriate candidates of the metallic sheet used for the electrodes of diamond semiconductor are investigated using computational approaches based on density functional theory (DF…

physics.chem-ph2017★ 11 cited

Partial Density of States Ligand Field Theory (PDOS-LFT): Recovering a LFT-Like Picture and Application to Photoproperties of Ruthenium(II) Polypyridine Complexes

Denis Magero, Mark E. Casida, George Amolo +2

Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ra…