1.9k citations · 4.1k across the 38 of their papers we have counts for
38 papers
Anatomy of Spin--Orbit Torques in Monolayer FeGeTe and FeGaTe: Insights from atomistic and momentum-space decompositions
Gusthavo M. S. Brizolla, Stepan S. Tsirkin, Yaroslav Zhumagulov +1
We present a systematic first-principles study of the spin-orbit torques in the ferromagnetic monolayers FeGeTe (FGT) and FeGaTe (FGaT). Despite sharing the same cr…
First-Principles Wannier Representation of Proximity Effects
Yaroslav Zhumagulov, Johan Félisaz, Stepan S. Tsirkin +2
Proximity effects in layered heterostructures are usually represented by static parameters fitted to first-principles bands, which discards the energy dependence of the virtual hyb…
Substitution modulated transition from semimetal to superconductor in ZrTeSe with coexistence of nontrivial electronic topology
V. M. Fim, C. F. Schuch, L. R. de Faria +5
This study explores the emergence of superconductivity in high-quality ZrTeSe crystals, grown via the isothermal chemical vapor transport (ICVT) technique. Resistive, s…
Study of the Nonlinear Dependence of Anomalous Hall Conductivity on Magnetization in Weak Itinerant Ferromagnet ZrZn2
Surasree Sadhukhan, Stepan S. Tsirkin, Yaroslav Zhumagulov +1
As opposed to the ordinary Hall effect, the anomalous Hall effect (AHE) remained unexplained for decades, and, amazingly, some misconceptions have survived even now, in particular,…
Optical spatial dispersion via Wannier interpolation
Andrea Urru, Ivo Souza, Óscar Pozo Ocaña +2
We present a numerical implementation, based on Wannier interpolation, of a Kubo-Greenwood formalism for computing the spatially dispersive optical conductivity in crystals at firs…
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…
Non-Hermitian Linear Electrooptic Effect in 3D materials
Tiago A. Morgado, Tatiana G. Rappoport, Stepan S. Tsirkin +3
Here, we present an in-depth theoretical analysis of the linear electrooptic effect in low-symmetry three-dimensional (3D) conductive materials with large Berry curvature dipoles.…
The Wannier Function Software Ecosystem for Materials Simulations
Antimo Marrazzo, Sophie Beck, Elena R. Margine +7
Over the last two decades, following the early developments on maximally localized Wannier functions, an ecosystem of electronic-structure simulation techniques and software packag…
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,…
Covariant derivatives of Berry-type quantities: Application to nonlinear transport
Xiaoxiong Liu, Stepan S. Tsirkin, Ivo Souza
The derivatives of the Berry curvature and intrinsic orbital magnetic moment m in momentum space are relevant to various problems, including the nonlinear anomalous Hall effect…
Electrical magnetochiral anisotropy in trigonal tellurium from first principles
Xiaoxiong Liu, Ivo Souza, Stepan S. Tsirkin
Structural chirality gives rise to characteristic responses that change sign with the handedness of the crystal structure. One example is electrical magnetochiral anisotropy (eMChA…
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…
Origin of spin reorientation and intrinsic anomalous Hall effect in the kagome ferrimagnet TbMn6Sn6
D. Connor Jones, Suvadip Das, Hari Bhandari +6
TbMnSn has attracted a lot of recent interest for a variety of reasons, most importantly, because of the hypothesis that it may support quantum-limit Chern topological magn…
On the separation of Hall and Ohmic nonlinear responses
Stepan S. Tsirkin, Ivo Souza
The symmetric and antisymmetric parts of the linear conductivity describe the dissipative (Ohmic) and nondissipative (Hall) parts of the current. The Hall current is always transve…
Signatures of Weyl fermion annihilation in a correlated kagome magnet
Ilya Belopolski, Tyler A. Cochran, Xiaoxiong Liu +22
The manipulation of topological states in quantum matter is an essential pursuit of fundamental physics and next-generation quantum technology. Here we report the magnetic manipula…
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…
Putative helimagnetic phase in the kagome metal Co_3Sn_2-xIn_xS_2
Z. Guguchia, H. Zhou, C. N. Wang +12
The exploration of topological electronic phases that result from strong electronic correlations is a frontier in condensed matter physics. One class of systems that is currently e…
Intriguing magnetism of the topological kagome magnet TbMn_6Sn_6
C. Mielke, W. Ma, V. Pomjakushin +24
Magnetic topological phases of quantum matter are an emerging frontier in physics and material science. Along these lines, several kagome magnets have appeared as the most promisin…
IrRep: symmetry eigenvalues and irreducible representations of ab initio band structures
Mikel Iraola, Juan L. Mañes, Barry Bradlyn +3
We present IrRep - a Python code that calculates the symmetry eigenvalues of electronic Bloch states in crystalline solids and the irreducible representations under which they tran…
Magnetism and anomalous transport in the Weyl semimetal PrAlGe: Possible route to axial gauge fields
D. Destraz, L. Das, S. S. Tsirkin +10
In magnetic Weyl semimetals, where magnetism breaks time-reversal symmetry, large magnetically sensitive anomalous transport responses are anticipated that could be useful for topo…
High performance Wannier interpolation of Berry curvature and related quantities: WannierBerri code
Stepan S. Tsirkin
Wannier interpolation is a powerful tool for performing Brillouin zone integrals over dense grids of points, which are essential to evaluate such quantities as the int…