A global-optimization study of the phase diagram of free-standing hydrogenated two-dimensional silicon

P Borlido, MAL Marques, S Botti - The Journal of Physical …, 2021 - ACS Publications
We perform a comprehensive study of the phase space of two-dimensional hydrogenated
silicon. To scan the composition space, we employ an efficient constrained global structural …

Two-dimensional binary metal-oxide quasicrystal approximants

AW Huran, HC Wang, MAL Marques - 2D Materials, 2021 - iopscience.iop.org
We investigate, using a systematic computational approach, the possibility of the existence
of two-dimensional quasicrystalline phases of binary metal-oxides. Our approach relies on …