WannSymm: A symmetry analysis code for Wannier orbitals

Abstract

We derived explicit expressions of symmetry operators on Wannier basis, and implemented these operators in WannSymm software. Based on this implementation, WannSymm can i) symmetrize the real-space Hamiltonian output from Wannier90 code, ii) generate symmetry operators of the little group at a specific k-point, and iii) perform symmetry analysis for Wannier band structure. In general, symmetrized Hamiltonians yield improved results compared with the original ones when they are employed for nodal structure searching, surface Green's function calculations, and other model calculations.

arXiv comment22 pages, 7 figures, WannSymm code can be downloaded from https://github.com/ccao/WannSymm ; typos corrected, references added

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• Fermi Surface Nesting with Heavy Quasiparticles in the Locally Noncentrosymmetric Superconductor CeRh${}_2$As${}_2$
• Pressure tuning domain-wall chirality in noncentrosymmetric magnetic Weyl semimetal CeAlGe
• Pressure-induced nontrivial $Z_2$ band topology and superconductivity in transition metal chalcogenide ${\mathrm{Ta}}_2{\mathrm{Ni}}_3{\mathrm{Te}}_5$
• Sign-reversed anomalous Nernst effect in the ferromagnetic Weyl-semimetal Fe${}_{3-x}$GeTe${}_2$: the role of Fe vacancies
• Correlation-induced Fermi surface evolution and topological crystalline superconductivity in CeRh2As2
• Superconductivity with the enhanced upper critical field in the Pt-Doping CuRh2Se4 spinel
• Superconductivity in the nodal-line compound La${}_3$Pt${}_3$Bi${}_4$
• Magnetic wallpaper Dirac fermions and topological magnetic Dirac insulators
• Electronic structure and open-orbit Fermi surface topology in isostructural semimetals NbAs${}_2$ and W${}_2$As${}_3$ with extremely large magnetoresistance
• Direction dependent switching of carrier-type enabled by Fermi surface geometry
• Spontaneous in-plane anomalous Hall response observed in a ferromagnetic oxide
• Symmetry-adapted closest Wannier modeling based on complete multipole basis set
• Pressure-induced concomitant topological and metal-insulator quantum phase transitions in Ce${}_3$Pd${}_3$Bi${}_4$
• Layered Topological Antiferromagnetic Metal at Room Temperature -- YbMn${}_2$Ge${}_2$
• Construction of optimized tight-binding models using \textit{ab initio} Hamiltonian: Application to monolayer $2H$-transition metal dichalcogenides
• Spin-orbit torque switching of Néel order in band-inverted antiferromagnetic bilayer MnBi${}_2$Te${}_4$
• Orbital enhanced intrinsic nonlinear planar Hall effect for probing topological phase transition in CuTlSe${}_2$
• Intrinsic Topological Weyl Phase Transition Induced by a Magnetostructural Transformation in a Kagome Magnet
• Bond-Length-Driven Magnetic Transition in Quasi-One-Dimensional CrSb$X_3$ ($X$=S, Se)
• Altermagnetism and Weak Magnetism in the Insulating Distorted Perovskite Antiferromagnet NaOsO${}_3$
• Deterministic Switching of Perpendicular Ferromagnets by Higher harmonics of Spin-orbit Torque in Noncentrosymmetric Weyl Semimetals