1.5k citations · 14.6k across the 142 of their papers we have counts for
144 papers
Magnetic Order from First-Principles Linear Response
Yaroslav Zhumagulov, Emiliano Cruz-Aranda, Denis Kochan +1
The magnetic order of a material is usually predicted by comparing the energies of trial spin configurations, a strategy that cannot reach orders outside the chosen set and rapidly…
Breakdown of Charge-Conjugation Symmetry of Disclinations in 2D Crystals
Ruslan Yamaletdinov, Mikhail I. Katsnelson, Oleg V. Yazyev
Disclinations are elementary topological defects in two-dimensional (2D) crystalline membranes, yet their elastic properties remain largely unexplored. Using atomistic simulations,…
Displacement-field-driven reconstruction of low energy transport in few-layer PtSe2
Xiao Liu, Yaroslav Zhumagulov, Yuang Jie +9
In layered semiconductors, a perpendicular displacement field generates an interlayer potential difference that competes with interlayer hybridization, modifying both the band gap…
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…
Electronic properties and topological aspects of graphene nanohelicoids
Xiaoqian Liu, Arsen Herasymchuk, Yaroslav Zhumagulov +1
We introduce graphene nanohelicoids, geometric analogues of graphene nanoribbons, in which the honeycomb lattice is embedded on a helicoidal surface. Starting from the three-dimens…
Charge carrier flow through trimmed graphene nanoribbon junctions
Julien Leuenberger, Kristiāns Čerņevičs, Oleg V. Yazyev
As Moore's law approaches its fundamental limits, the development of nanoelectronic devices using low-dimension materials has become a promising avenue for further miniaturization…