495 citations · 800 across the 11 of their papers we have counts for
12 papers
Site dependency of the magnetism for Mn adsorption on MgO/Ag(001): a combined DFT and STM investigation
Shruba Gangopadhyay, Thaneshwor P. Kaloni, Udo Udo Schwingenschlögl +1
Theoretical and experimental investigation of the electronic and magnetic structure of transition metal atoms on an insulating interface with a metallic substrate at low temperatur…
Activated Layered Magnetism from Bulk TiN
Chiung-Yuan Lin, Szu-Wen Yang, Keng-Liang Ou +1
The novel properties of a uniaxially-expanded TiN bulk arising from increasing the layer spacing from equilibrium are explored using a first-principles approach. We reveal a novel…
Interplay between Orbital Magnetic Moment and Crystal Field Symmetry: Fe atoms on MgO
S. Baumann, F. Donati, S. Stepanow +15
We combine density functional theory, x-ray magnetic circular dichroism, multiplet calculations, and scanning tunneling spectroscopy to assess the magnetic properties of Fe atoms a…
Site-dependent magnetism of Ni adatoms on MgO/Ag(001)
Oliver R. Albertini, Amy Y. Liu, Barbara A. Jones
We examine the adsorption of a single Ni atom on a monolayer of MgO on a Ag substrate using DFT and DFT+U computational approaches. We find that the electronic and magnetic propert…
Magnetic Interaction between Surface Engineered Rare-earth Atomic Spins
Chiung-Yuan Lin, Jheng-Lian Li, Yao-Hsien Hsieh +1
We report the ab initio study of rare-earth adatoms (Gd) on an insulating surface. This surface is of interest because of previous studies by scanning tunneling microscopy showing…
Spin and exchange coupling for Ti embedded in a surface dipolar network
Raghani Pushpa, Jesus Cruz, Barbara Jones
We have studied the spin and exchange coupling of Ti atoms on a CuN/Cu(100) surface using density functional theory. We find that individual Ti have a spin of 1.0 (i.e., 2 Bohr…