71 citations · 322 across the 16 of their papers we have counts for
12 papers · 1 filter
Strain-induced stripe phase in charge ordered single layer NbSe
Fabrizio Cossu, Krisztián Palotás, Sagar Sarkar +2
Charge density waves are ubiquitous phenomena in metallic transition metal dichalcogenides. In NbSe, a triangular structural modulation is coupled to a charge modula…
Atomic and electronic structure of the Si(331)-(121) surface
Ruslan Zhachuk, José Coutinho, Krisztián Palotás
We report on the investigation of the atomic and electronic structures of a clean Si(331)-(121) surface using a first-principles approach with both plane wave and strictly…
Inducing skyrmions in ultrathin Fe films by hydrogen exposure
Pin-Jui Hsu, Levente Rozsa, Aurore Finco +8
Magnetic skyrmions are localized nanometer-sized spin configurations with particle_like properties, which are envisioned to be used as bits in next_generation information technolog…
Contrast stability and "stripe" formation in Scanning Tunnelling Microscopy imaging of highly oriented pyrolytic graphite: The role of STM-tip orientations
Gábor Mándi, Gilberto Teobaldi, Krisztián Palotás
Highly oriented pyrolytic graphite (HOPG) is an important substrate in many technological applications and is routinely used as a standard in Scanning Tunnelling Microscopy (STM) c…
STM contrast inversion of the Fe(110) surface
Gábor Mándi, Krisztián Palotás
We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel-Kramers-Brillouin (WKB) atom-superposition approach to simulate spin-…
Arbitrary tip orientation in STM simulations: 3D WKB theory and application to W(110)
Gábor Mándi, Norbert Nagy, Krisztián Palotás
We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel-Kramers-Brillouin (WKB) atom-superposition approach for simulating sc…
Prediction of the bias voltage dependent magnetic contrast in spin-polarized scanning tunneling microscopy
Krisztián Palotás
This work is concerned with the theoretical description of the contrast, i.e., the apparent height difference between two lateral surface positions on constant current spin-polariz…
Orbital dependent electron tunneling within the atom superposition approach: Theory and application to W(110)
Krisztián Palotás, Gábor Mándi, László Szunyogh
We introduce an orbital dependent electron tunneling model and implement it within the atom superposition approach for simulating scanning tunneling microscopy (STM) and spectrosco…
Simulation of spin-polarized scanning tunneling microscopy on complex magnetic surfaces: Case of a Cr monolayer on Ag(111)
Krisztián Palotás, Werner A. Hofer, László Szunyogh
We propose an atom-superposition-based method for simulating spin-polarized scanning tunneling microscopy (SP-STM) from first principles. Our approach provides bias dependent STM i…
An orbital-free density functional method based on inertial fields
K. Palotas, W. A. Hofer
In this paper we revisit the Levy-Perdew-Sahni equation. We establish that the relation implicitly contains the conservation of energy density at every point of the system. The sep…
Non-linear density functional theory: A direct method to calculate many-electron charge densities
Werner A. Hofer, Krisztian Palotas
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals.…
Ab-initio study of the electric transport in gold nanocontacts
K. Palotas, B. Lazarovits, L. Szunyogh +1
By employing a real-space formulation of the Kubo-Greenwood equation based on a Green's function embedding technique combined with the fully relativistic spin-polarized Korringa-Ko…