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Many-body perturbation theory calculations using the yambo code
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 …
condensed matter systems from first principles using many-body methods. As input, yambo …
New deformation-induced nanostructure in silicon
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 …
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 …
substrates. These hexagonal phases of group-IV semiconductors have been predicted to …
Optical emission in hexagonal SiGe nanowires
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 …
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
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 …
compared to common cubic Si with diamond structure. Therefore, synthesis of these …
Metastable group IV allotropes and solid solutions: Nanoparticles and nanowires
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 …
extensive research. Beside tremendous progress in morphological control and integration in …
Electronic structure and optical properties of semiconductor nanowires polytypes
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 …
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
Semiconducting nanowires (NWs) offer the unprecedented opportunity to host different
crystal phases in a nanostructure, which enables the formation of polytypic heterostructures …
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
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 …
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
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 …
In this paper, the energetic, structural, elastic, and electronic properties of the hexagonal …