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1 article(s) from O'Mullane, Anthony

Computational exploration of two-dimensional silicon diarsenide and germanium arsenide for photovoltaic applications

Sri Kasi Matta,
Chunmei Zhang,
Yalong Jiao,
Anthony O'Mullane and
Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1247–1253, doi:10.3762/bjnano.9.116

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Figure 1: Crystal structure side view of (a) SiAs₂ bulk (3 × 2 super cells) and (b) GeAs₂ bulk (red: silicon,...

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Figure 2: Phonon band structure of a monolayer of (a) SiAs₂ and (b) GeAs₂ along the high-symmetry points in t...

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Figure 3: Band structure for SiAs₂ and GeAs₂ calculated by the HSE-Wannier function method. The Fermi level i...

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Figure 4: Calculated light absorption spectrum of monolayers of SiAs₂ (green) and GeAs₂ (blue) using HSE func...

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Figure 5: (a,c) GW-band structures and (b,d) BSE-optical absorption spectra of SiAs₂ and GeAs₂, respectively.

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Published 19 Apr 2018

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