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Surface theorem for the Chern-Simons axion coupling
Thomas Olsen, Maryam Taherinejad, David Vanderbilt +1
The Chern-Simons axion coupling of a bulk insulator is only defined modulo a quantum of e^2/h. The quantized part of the coupling is uniquely defined for a bounded insulating sampl…
Z2Pack: Numerical Implementation of Hybrid Wannier Centers for Identifying Topological Materials
Dominik Gresch, Gabriel Autès, Oleg V. Yazyev +4
The intense theoretical and experimental interest in topological insulators and semimetals has established band structure topology as a fundamental material property. Consequently,…
Flux states and topological phases from spontaneous time-reversal symmetry breaking in CrSi(Ge)Te-based systems
Jianpeng Liu, Se Young Park, Kevin F. Garrity +1
We study adatom-covered single layers of CrSiTe and CrGeTe using first-principles calculations based on hybrid functionals. We find that the insulating ground state of a mo…
Topological nodal-line semimetals in alkaline-earth stannides, germanides and silicides
Huaqing Huang, Jianpeng Liu, David Vanderbilt +1
Based on first-principles calculations and an effective Hamiltonian analysis, we systematically investigate the electronic and topological properties of alkaline-earth compounds $A…
Tunable inverse topological heterostructure utilizing
Matthew Brahlek, Nikesh Koirala, Jianpeng Liu +6
In typical topological insulator (TI) systems the TI is bordered by a non-TI insulator, and the surrounding conventional insulators, including vacuum, are not generally treated as…