Related papers: WannierTools: An open-source software package for …
Van der Waals heterostructures promise on-demand designer quantum phases through control of monolayer composition, stacking, twist angle, and external fields. Yet, experimental efforts have been narrowly focused, leaving much of this vast…
We develop a computational workflow for high-throughput Wannierization of density functional theory (DFT) based electronic band structure calculations. We apply this workflow to 1771 materials, and we create a database with the resulting…
Topological Weyl semimetals represent a novel class of non-trivial materials, where band crossings with linear dispersions take place at generic momenta across reciprocal space. These crossings give rise to low-energy properties akin to…
Topological materials exhibit protected edge modes that have been proposed for applications in for example spintronics and quantum computation. While a number of such systems exist, it would be desirable to be able to test theoretical…
In this article, we provide an overview of the basic concepts of novel topological materials. This new class of materials developed by combining the Weyl/Dirac fermionic electron states and magnetism, provide a materials-science platform to…
Contemporary quantum materials research is guided by themes of topology and of electronic correlations. A confluence of these two themes is engineered in "moir\'e materials", an emerging class of highly tunable, strongly correlated…
AOtools is a Python package which is open-source and aimed at providing tools for adaptive optics users and researchers. We present version 1.0 which contains tools for adaptive optics processing, including analysing data in the pupil…
The discovery of topological quantum states marks a new chapter in both condensed matter physics and materials sciences. By analogy to spin electronic system, topological concepts have been extended into phonons, boosting the birth of…
This exposition presents nimblewomble, a software package to perform wombling, or boundary analysis, using the nimble Bayesian hierarchical modeling language in the R statistical computing environment. Wombling is used widely to track…
Observations of emergent quantum phases in twisted bilayer graphene prompted a flurry of activities in van-der-Waals (vdW) materials beyond graphene. Most current twisted experiments use a so-called tear-and-stack method using a polymer…
Topological properties lie at the heart of many fascinating phenomena in solid state systems such as quantum Hall systems or Chern insulators. The topology can be captured by the distribution of Berry curvature, which describes the geometry…
The Python package pylimer-tools is a comprehensive toolkit for computational studies of polymer networks, particularly bead-spring networks. The package provides functionality to generate polymer networks using Monte Carlo (MC) procedures…
Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address…
RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response functions based on the random phase approximation and related…
Recent research in materials science opens exciting perspectives to design novel quantum materials and devices, but it calls for quantitative predictions of properties which are not accessible in standard first principles packages. PAOFLOW…
Topological electronic materials are new quantum states of matter hosting novel linear responses in the bulk and anomalous gapless states at the boundary, and are for scientific and applied reasons under intensive research in physics and in…
We propose classification schemes for characterizing two-dimensional topological phases with nontrivial weak indices. Here, "weak" implies that the Chern number in the corresponding phase is trivial, while the system shows edge states along…
We present an open-source Python package, SpinWaveToolkit (SWT), for (semi-)analytical modeling of spin-wave dynamics in thin ferromagnetic films and exchange-coupled magnetic bilayers. SWT combines analytical models based on the…
A Materials Project based open-source Python tool, MPInterfaces, has been developed to automate the high-throughput computational screening and study of interfacial systems. The framework encompasses creation and manipulation of interface…
Twisted van der Waals heterostructures have latterly received prominent attention for their many remarkable experimental properties, and the promise that they hold for realising elusive states of matter in the laboratory. We propose that…