Many-body perturbation theory calculations using the yambo code

D Sangalli, A Ferretti, H Miranda… - Journal of physics …, 2019 - iopscience.iop.org
Abstract yambo is an open source project aimed at studying excited state properties of
condensed matter systems from first principles using many-body methods. As input, yambo …

New deformation-induced nanostructure in silicon

B Wang, Z Zhang, K Chang, J Cui, A Rosenkranz… - Nano Letters, 2018 - ACS Publications
Nanostructures in silicon (Si) induced by phase transformations have been investigated
during the past 50 years. Performances of nanostructures are improved compared to that of …

Accurate electronic and optical properties of hexagonal germanium for optoelectronic applications

C Rödl, J Furthmüller, JR Suckert, V Armuzza… - Physical Review …, 2019 - APS
High-quality defect-free lonsdaleite Si and Ge can now be grown on hexagonal nanowire
substrates. These hexagonal phases of group-IV semiconductors have been predicted to …

Optical emission in hexagonal SiGe nanowires

X Cartoixa, M Palummo, HIT Hauge, EPAM Bakkers… - Nano …, 2017 - ACS Publications
Recent advances in the synthetic growth of nanowires have given access to crystal phases
that in bulk are only observed under extreme pressure conditions. Here, we use first …

Nature of hexagonal silicon forming via high-pressure synthesis: nanostructured hexagonal 4H polytype

S Pandolfi, C Renero-Lecuna, Y Le Godec… - Nano …, 2018 - ACS Publications
Hexagonal Si allotropes are expected to enhance light absorption in the visible range as
compared to common cubic Si with diamond structure. Therefore, synthesis of these …

Metastable group IV allotropes and solid solutions: Nanoparticles and nanowires

S Barth, MS Seifner, S Maldonado - Chemistry of Materials, 2020 - ACS Publications
In the past decades, group IV nanowires and nanoparticles have been the subject of
extensive research. Beside tremendous progress in morphological control and integration in …

Electronic structure and optical properties of semiconductor nanowires polytypes

LH Galvão Tizei, M Amato - The European Physical Journal B, 2020 - Springer
Advances in the fabrication and characterization of nanowires polytypes have made crystal
phase engineering a well-established tool to tailor material properties. In this review, recent …

Crystalline, phononic, and electronic properties of heterostructured polytypic Ge nanowires by Raman spectroscopy

C Fasolato, M De Luca, D Djomani, L Vincent… - Nano …, 2018 - ACS Publications
Semiconducting nanowires (NWs) offer the unprecedented opportunity to host different
crystal phases in a nanostructure, which enables the formation of polytypic heterostructures …

Natural occurrence of the diamond hexagonal structure in silicon nanowires grown by a plasma-assisted vapour–liquid–solid method

J Tang, JL Maurice, F Fossard, I Florea, W Chen… - Nanoscale, 2017 - pubs.rsc.org
Silicon nanowires have been grown by a plasma-assisted vapour–liquid–solid method
using tin as the catalyst. Transmission electron microscopy in the [110] zone axis shows that …

First-principles insight in structure-property relationships of hexagonal Si and Ge polytypes

M Keller, A Belabbes, J Furthmüller, F Bechstedt… - Physical Review …, 2023 - APS
Hexagonal SiGe is a promising material for combining electronic and photonic technologies.
In this paper, the energetic, structural, elastic, and electronic properties of the hexagonal …