3 papers
cond-mat.mtrl-sci2026
Origin of circular and triangular pores in electron-irradiated hexagonal boron nitride
Umair Javed, Manuel Langle, Vladimir Zobac +9
For nearly two decades, it has been known that electron irradiation of hexagonal boron nitride (hBN) in a transmission electron microscope leads to the formation of triangular pore…
quant-ph2025
Diffraction of atomic matter waves through a 2D crystal
Carina Kanitz, Jakob Bühler, VladimÃr ZobaÄ +4
Diffraction of atoms from surfaces provides detailed insights into structures, interactions, and dynamical processes. However, currently the method is limited to measurements in re…
cond-mat.mtrl-sci2025
Ehrenfest dynamics with localized atomic-orbital basis sets within the projector augmented-wave method
VladimÃr ZobaÄ, Mikael Kuisma, Ask Hjorth Larsen +2
Density functional theory with linear combination of atomic orbitals (LCAO) basis sets is useful for studying large atomic systems, especially when it comes to computationally high…