IRSSG is a new open-source DFT-interfacing package that computes spin space group operations, compact international symbols, character tables, and irreducible corepresentation labels for magnetic bands.
Ozaki, Variationally optimized atomic orbitals for large-scale electronic structures, Phys
5 Pith papers cite this work. Polarity classification is still indexing.
5
Pith papers citing it
citation-role summary
method 2
background 1
citation-polarity summary
fields
cond-mat.mtrl-sci 5representative citing papers
Twisted 1T-ZrS₂ and 1T-SnSe₂ host isolated topological moiré valence bands with quantum spin Hall and high spin Chern states that arise from inter-branch and inter-orbital coupling under approximate spin-U(1) symmetry.
Phonon instabilities in 1T-VSe2 drive multiple CDW intermediates that converge via iterative relaxations to the same stable 2√3×4 ground-state structure.
Charge disproportionation stabilizes the monoclinic semiconducting state in Fe₂PO₅ and enables its room-temperature d-wave altermagnetism.
COGITO creates accurate tight-binding models from DFT that match MLWF accuracy while keeping the orbitals chemically interpretable and projected onto atomic centers.
citing papers explorer
-
IRSSG: An Open-Source Software Package for Spin Space Groups
IRSSG is a new open-source DFT-interfacing package that computes spin space group operations, compact international symbols, character tables, and irreducible corepresentation labels for magnetic bands.
-
Engineering topological flat bands in $\Gamma$-valley moir\'e systems with Ising-type SOC: twisted 1T-ZrS$_2$ and 1T-SnSe$_2$
Twisted 1T-ZrS₂ and 1T-SnSe₂ host isolated topological moiré valence bands with quantum spin Hall and high spin Chern states that arise from inter-branch and inter-orbital coupling under approximate spin-U(1) symmetry.
-
Multiple Softening Q-vectors Driving a Cascade of CDW Phases in $\mathrm{1T-VSe}_{2}$
Phonon instabilities in 1T-VSe2 drive multiple CDW intermediates that converge via iterative relaxations to the same stable 2√3×4 ground-state structure.
-
Key Role of Charge Disproportionation in Monoclinic Semiconducting Fe$_2$PO$_5$, a Room-Temperature d-Wave Altermagnet Candidate
Charge disproportionation stabilizes the monoclinic semiconducting state in Fe₂PO₅ and enables its room-temperature d-wave altermagnetism.
-
Crystal Orbital Guided Iteration to Atomic Orbitals: A Pathway to Chemically Adaptive Atomic Orbitals from DFT
COGITO creates accurate tight-binding models from DFT that match MLWF accuracy while keeping the orbitals chemically interpretable and projected onto atomic centers.