Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures

Jan 1, 2025·
Junke Jiang
,
Tammo Van Der Heide
,
Simon Thébaud
,
Carlos Raúl Lien-Medrano
,
Arnaud Fihey
,
Laurent Pedesseau
,
Claudio Quarti
,
Marios Zacharias
,
George Volonakis
,
Mikael Kepenekian
,
Others
· 0 min read
Type
Publication
Physical Review Materials