
Research Highlights: Polymorphic expressions of ultrathin oxidic layers of Mo on Au(111) Selective CH bond activation towards controllable onsurface synthesis Calculation of tunneling spin transport vectors in highresolution spinpolarized scanning tunneling microscopy: Theory, Néel and Bloch skyrmions Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors Complex magnetic states are tunable by hydrogen exposure Surface defects are responsible for starting points of structural decomposition of perovskites Microscopic origin of chiral shape induction in achiral crystals Chen's derivative rule extended for tiporbital interference effects in scanning tunneling microscopy What is the orientation of the tip in a scanning tunneling microscope? Magnetic skyrmions with tunable properties Surface patterning: fullerenes line up EU COST Action CA17123: MAGNETOFON: Ultrafast optomagnetoelectronics for nondissipative information technology EU COST Action MP1306: EUSpec: Modern Tools for Spectroscopy on Advanced Materials Research interests: Physics/Chemistry: Ab initio electronic structure calculations (DFT) Magnetic surfaces and nanostructures, topological magnetic objects (skyrmions) 2D materials, new materials for various applications Supported molecular nanostructures Development of theoretical electron charge/spin transport methods based on first principles, and simulations in the tunneling and ballistic regime 3DWKBSTM code: Available upon request! (email) Overview Review on the 3DWKBSTM method: Frontiers of Physics 9, 711747 (2014) Theory: 3DWKB Interface: All DFT codes (atomprojected DOS) Calculation modes: STM, STS, STT, LSC, 3D current and dI/dV maps, 2D constant height maps, 2D constant current maps, 1D line scans, single point dI/dV spectra, orbitaldependence/independence, arbitrary tip geometrical orientation, local work functiondependence, spinpolarization, arbitrary tip magnetization orientation, noncollinear magnetic surfaces NEW in 2018: Calculation of tunneling spin transport vectors (spin transfer torque (STT), longitudinal spin current (LSC)) in highresolution spinpolarized scanning tunneling microscopy: Physical Review B 98, 094409/113 (2018). ARXIV PDF Physical Review B 97, 174402/115 (2018). PDF BSKAN code: Available upon request! (email) BSKAN guide version 3.6 Theories: TersoffHamann, Chen's derivative rule, Bardeen, multiple scattering Interface: VASP Calculation modes: STM, STS, 3D current and dI/dV maps, 2D constant height maps, 2D constant current maps, 1D line scans, single point dI/dV spectra, spinpolarization, arbitrary tip geometrical orientation (Chen), tiporbital interference (Chen) Simulated STM image of a Cr monolayer on Au(111) using the 3DWKBSTM code. The magnetic structure is noncollinear, red arrows indicate Cr atomic magnetic moments, white arrows show magnetization direction of the STM tip. Finance: Corporate governance effects on corporate performance modeled by using artificial neural networks Last modified: 18 Mar 2019
