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

• , electronic and optical properties using density functional theory (DFT), hybrid functional and Bethe–Salpeter equation (BSE) approaches. We find that the exfoliation of single-layer SiAs2 and GeAs2 is highly feasible and in principle could be carried out experimentally by mechanical cleavage due to the

• studied using Green’s function, GW-Bethe–Salpeter equation (BSE) approach implemented in VASP code [23][29][30][31]. The GW calculations were performed with a 13 × 5 × 1 k-grid, the energy cut-off for response function is set at 100 both in GW and BSE approach for exact compatibility. Over and above the

Silicon and germanium nanocrystals: properties and characterization

• Ivana Capan,
• Alexandra Carvalho and
• José Coutinho

Beilstein J. Nanotechnol. 2014, 5, 1787–1794, doi:10.3762/bjnano.5.189

• effects is important especially for small nanoparticles in which the exciton binding energy can be large [55]. These can be calculated by using the Bethe–Salpeter equation [7]. However, for nanocrystals with a radius larger than 0.6 nm, the self-energy and the Coulomb corrections almost exactly cancel

Many-body effects in semiconducting single-wall silicon nanotubes

• Wei Wei and
• Timo Jacob

Beilstein J. Nanotechnol. 2014, 5, 19–25, doi:10.3762/bjnano.5.2

• approximation and Bethe–Salpeter equation. In these studied structures, i.e., (4,4), (6,6) and (10,0) SiNTs, self-energy effects are enhanced giving rise to large quasi-particle (QP) band gaps due to the confinement effect. The strong electron−electron (e−e) correlations broaden the band gaps of the studied

• order of 1 eV) assigned: the binding energies of the armchair (4,4), (6,6) and zigzag (10,0) SiNTs are 0.92, 1.1 and 0.6 eV, respectively. Results in this work are useful for understanding the physics and applications in silicon-based nanoscale device components. Keywords: Bethe–Salpeter equation

• the purely electronic level. Fortunately it is possible to make quantitative predictions of the absorption spectra and the band structures of a wide class of systems by combining the GW approximation and the Bethe−Salpeter equation (BSE) [32][33][34][35][36][37], i.e., many-body Green’s function

Extended X-ray absorption fine structure of bimetallic nanoparticles

• Carolin Antoniak

Beilstein J. Nanotechnol. 2011, 2, 237–251, doi:10.3762/bjnano.2.28

• (quasiparticle) picture is briefly summarised. More sophisticated approaches based on the Bethe–Salpeter equation for a two-particle system in quantum field theory have also been developed [15][16]. However, since the quasiparticle approximation leads to a good agreement between theory and experiment in common