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First-Principles Wannier Representation of Proximity Effects
Yaroslav Zhumagulov, Johan Félisaz, Stepan S. Tsirkin +2
Proximity effects in layered heterostructures are commonly represented by static parameters fitted to first-principles band structures, an approximation that usually discards the e…
Unveiling intrinsic bulk photovoltaic effect in atomically thin ReS2
Maria Ramos, Tanweer Ahmed, Bao Q. Tu +10
The bulk photovoltaic effect (BPVE) offers a promising avenue to surpass the efficiency limitations of current solar cell technology. However, disentangling intrinsic and extrinsic…
Symmetry Origin and Microscopic Mechanism of Electrical Magnetochiral Anisotropy in Tellurium
Manuel Suárez-Rodríguez, Beatriz Martín-García, Francesco Calavalle +7
Non-linear transport effects in response to external magnetic fields, i.e. electrical magnetochiral anisotropy (eMChA), have attracted much attention for their importance to study…
Odd non-linear conductivity under spatial inversion in chiral Tellurium
Manuel Suárez-Rodríguez, Beatriz Martín-García, Witold Skowroński +9
Electrical transport in non-centrosymmetric materials departs from the well-established phenomenological Ohm's law. Instead of a linear relation between current and electric field,…
Ab initio study of the nonlinear optical properties and d.c. photocurrent of the Weyl semimetal TaIrTe
Álvaro R. Puente-Uriona, Stepan S. Tsirkin, Ivo Souza +1
We present a first principles theoretical study employing nonlinear response theory to investigate the d.c. photocurrent generated by linearly polarized light in the type-II Weyl s…
Topological Zero-Dimensional Defect and Flux States in Three-Dimensional Insulators
Frank Schindler, Stepan S. Tsirkin, Titus Neupert +2
In insulating crystals, it was previously shown that defects with two fewer dimensions than the bulk can bind topological electronic states. We here further extend the classificati…
Giant Crystal Hall Effect in Collinear Antiferromagnetic -FeMn
Lei Wang, Ka Shen, Tai Min +1
The spontaneous Hall effect is usually governed by three conventional mechanisms, such as the Berry curvature, skew scattering and side jump, which widely exist in ferromagnetic or…
Flat bands with fragile topology through superlattice engineering on single-layer graphene
Anastasiia Skurativska, Stepan S. Tsirkin, Fabian D Natterer +2
'Magic'-angle twisted bilayer graphene has received a lot of interest due to its flat bands with potentially non-trivial topology that lead to intricate correlated phases. A spectr…
From triple-point materials to multiband nodal links
Patrick M. Lenggenhager, Xiaoxiong Liu, Stepan S. Tsirkin +2
We study a class of topological materials which in their momentum-space band structure exhibit three-fold degeneracies known as triple points. Focusing specifically on $\mathcal{P}…
Negative flat band magnetism in a spin-orbit coupled correlated kagome magnet
Jia-Xin Yin, Songtian S. Zhang, Guoqing Chang +17
It has long been speculated that electronic flat band systems can be a fertile ground for hosting novel emergent phenomena including unconventional magnetism and superconductivity.…