# Tunneling anisotropic magnetoresistance of Pb and Bi adatoms and dimers on Mn/W(110): A first-principles study

## TL;DR

This study uses first-principles calculations to demonstrate that Pb and Bi adatoms and dimers on a Mn/W(110) surface exhibit large tunneling anisotropic magnetoresistance (TAMR), influenced by spin-orbit coupling and orbital hybridization.

## Contribution

It provides the first detailed theoretical analysis of TAMR effects for Pb and Bi adatoms and dimers on a noncollinear magnetic surface using density functional theory.

## Key findings

- TAMR up to 60% observed for adatoms and dimers.
- Dimer TAMR varies with orientation due to bonding and symmetry effects.
- Largest TAMR occurs along the spin spiral direction of the Mn monolayer.

## Abstract

We show that Pb and Bi adatoms and dimers have a large tunneling anisotropic magnetoresistance (TAMR) of up to 60% when adsorbed on a magnetic transition-metal surface due to strong spin-orbit coupling and the hybridization of 6p orbitals with 3d states of the magnetic layer. Using density functional theory, we have explored the TAMR effect of Pb and Bi adatoms and dimers adsorbed on a Mn monolayer on W(110). This surface exhibits a noncollinear cycloidal spin spiral ground state with an angle of 173$^\circ$ between neighboring spins which allows to rotate the spin quantization axis of an adatom or dimer quasi-continuously and is ideally suited to explore the angular dependence of TAMR using scanning tunneling microscopy (STM). We find that the induced magnetic moments of Pb and Bi adatoms and dimers are small, however, the spin-polarization of the local density of states (LDOS) is still very large. The TAMR obtained from the anisotropy of the vacuum LDOS is up to 50-60 % for adatoms. For dimers the TAMR depends sensitively on the dimer orientation with respect to the crystallographic directions of the surface due to the formation of bonds between the adatoms with the Mn surface atoms and the symmetry of the spin-orbit coupling induced mixing. Dimers oriented along the spin spiral direction of the Mn monolayer display the largest TAMR of 60 % which is due to hybrid 6p-3d states of the dimers and the Mn layer