698 citations
- Technische Universität DresdenDE116 papers
- Leibniz Institute for Solid State and Materials ResearchDE26 papers
- Max Bergmann Zentrum für BiomaterialienDE18 papers
- Center for Advancing Electronics DresdenDE17 papers
- Chemnitz University of TechnologyDE8 papers
- Complexity and Topology in Quantum MatterDE8 papers
- Fraunhofer Institute for Electronic Nano SystemsDE8 papers
- Oakland UniversityUS8 papers
- Center for Systems Biology DresdenDE7 papers
- Centre National de la Recherche ScientifiqueFR6 papers
- Institució Catalana de Recerca i Estudis AvançatsES6 papers
- Institut Català de Nanociència i NanotecnologiaES6 papers
6 papers · 1 filter
An efficient numerical framework for the amplitude expansion of the phase-field crystal model
Simon Praetorius, Marco Salvalaglio, Axel Voigt
The study of polycrystalline materials requires theoretical and computational techniques enabling multiscale investigations. The amplitude expansion of the phase field crystal mode…
First-principles investigation of Ag-, Co-, Cr-, Cu-, Fe-, Mn-, Ni-, Pd- and Rh-hexaaminobenzene 2D metal-organic frameworks
Bohayra Mortazavi, Masoud Shahrokhi, Meysam Makaremi +2
In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were synthesized in 2D forms, with high electrical conductivities and capacitances as well. Motivated by these experim…
Hydrodynamic interactions in polar liquid crystals on evolving surfaces
Ingo Nitschke, Sebastian Reuther, Axel Voigt
We consider the derivation and numerical solution of the flow of passive and active polar liquid crystals, whose molecular orientation is subjected to a tangential anchoring on an…
An improved Green's function algorithm applied to quantum transport in carbon nanotubes
Fabian Teichert, Andreas Zienert, Jörg Schuster +1
The renormalization-decimation algorithm (RDA) of López Sancho et al. is used in quantum transport theory to calculate bulk and surface Green's functions. We derive an improved ver…
Strain and screening: Optical properties of a small-diameter carbon nanotube from first principles
Christian Wagner, Jörg Schuster, André Schleife
Carbon nanotubes (CNTs) are a one-dimensional material system with intriguing physical properties that lead to emerging applications. While CNTs are unusually strain resistant comp…
Improved recursive Green's function formalism for quasi one-dimensional systems with realistic defects
Fabian Teichert, Andreas Zienert, Jörg Schuster +1
We derive an improved version of the recursive Green's function formalism (RGF), which is a standard tool in the quantum transport theory. We consider the case of disordered quasi…