46 citations · 46 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2021★ 46 cited
Mixed Formamidinium-Methylammonium Lead Iodide perovskite from first-principles: Hydrogen-bonding impact on the electronic properties
Maximiliano Senno, Silvia Tinte
Hybrid perovskites with mixed organic cations such as methylammonium and formamidinium have attracted interest due to their improved stability and capability to tune their properti…
cond-mat.mtrl-sci2003
Anomalous enhancement of tetragonality in PbTiO3 induced by negative pressure
Silvia Tinte, Karin M. Rabe, David Vanderbilt
Using a first-principles approach based on density-functional theory, we find that a large tetragonal strain can be induced in PbTiO3 by application of a negative hydrostatic press…
cond-mat.mtrl-sci2002
Quantitative analysis of the first-principles effective-Hamiltonian approach to ferroelectric perovskites
Silvia Tinte, Jorge Iniguez, Karin M. Rabe +1
The various approximations used in the construction of a first-principles effective Hamiltonian for BaTiO3, and their effects on the calculated transition temperatures, are discuss…