Interested

• density functional theory
• dft
• dft u
• structure
• surface energy
• density functional theory dft
• fe
• electronic structure
• density functional calculations
• surfaces

Scientific discipline

• physical sciences

Latest publications

• Superconductivity in a New High-Entropy Alloy
  (NbTi)_0.67 (MoHfV)_0.33
• New type of Ti-rich HEA superconductors with high upper critical field
• Superconductivity in the high-entropy alloy (NbTa)_0.67 (MoHfW)_0.33
• Enhanced Superconducting Critical Parameters in a New High-Entropy Alloy Nb_0.34Ti_0.33Zr_0.14Ta_0.11Hf_0.08
• Simulation of STM Images of Hematite α‑Fe2O3(0001) Surfaces: Dependence on Distance and Bias
• Superconductivity in high-entropy alloy system containing Th
• Structure of mono- and bilayer FeO on Ru(0001): STM and DFT study
• Ostwald Ripening in an Oxide-on-Metal System
• Gold nanostructures on iron oxide surfacesand their interaction with CO
• Structure and energetics of FeO/Fe(001) interfaces
• Structure of monolayer iron nitride islands on Cu(001) revisited
• Structural, electronic and magnetic properties of greigite Fe3S4 by GGA and GGA + U versus SCAN meta-GGA density functionals
• DFT study of stepped 4H-SiC{0001} surfaces
• Water adsorption on the stoichiometric and defected Fe(110) surfaces
• Water Adsorption on bcc Iron Surfaces