# Magnetic states at the oxygen surfaces of ZnO and Co-doped ZnO.

@article{Sanchez2008MagneticSA, title={Magnetic states at the oxygen surfaces of ZnO and Co-doped ZnO.}, author={Nadiezhda Sanchez and Silvia Gallego and M. Carmen Mu{\~n}oz}, journal={Physical review letters}, year={2008}, volume={101 6}, pages={ 067206 } }

First principles calculations of the O surfaces of Co-ZnO show that substitutional Co ions develop large magnetic moments which long-range order depends on their mutual distance. The local spin polarization induced at the O atoms is 3 times larger at the surface than in the bulk, and the surface stability is considerably reinforced by Co. Moreover, a robust ferromagnetic state is predicted at the O (0001) surface even in the absence of magnetic atoms, correlated with the number of p holes in…

## 63 Citations

O-vacancy-mediated spin-spin interaction in Co-doped ZnO: First-principles total-energy calculations

- Chemistry
- 2010

The effects of O vacancy (VO) on the electronic and magnetic properties of Co-doped ZnO are examined through first-principles total-energy calculations. Our results suggest that due to the presence…

Ab initio study of the p-hole magnetism at polar surfaces of ZnO: the role of correlations.

- Physics, MedicineJournal of physics. Condensed matter : an Institute of Physics journal
- 2016

It is demonstrated that partially filled oxygen p orbitals of the polar surfaces exhibit magnetic moment formation and long range magnetic order leading to the occurrence of a ferromagnetic ground state in polar oxygen-terminated ZnO surfaces.

Magnetic interaction of Co ions near the (10\bar{1}0 ) ZnO surface

- Physics
- 2010

Co-doped ZnO is the prototypical dilute magnetic oxide, showing many of the characteristics of ferromagnetism. The microscopic origin of the long-range order, however, remains elusive, since the…

Co doped ZnO(0001)-Zn by diffusion method and its magnetic properties

- Materials Science
- 2009

The diffusion behaviors of Co clusters on clean ZnO(0001)-Zn single crystal surface and their magnetic properties are studied. Co clusters are deposited on the clean ZnO(0001)-Zn surface at room…

Effect of Co-doping on the Electronic Structure and Absorption Spectrum of Wurtzite ZnO Under Pressure

- Materials Science
- 2016

The effect of Co content and hydrostatic pressure on the electronic structure and absorption properties of wurtzite ZnO has been investigated by first principles calculations. The results reveal that…

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- Chemistry
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The electronic structures and magnetic properties of ZnO semiconductors doped with Cu, Co, C, Al and S are studied by first-principles calculation. The electronic transfer among Zn, O and doped…

Magnetic Properties of Polar ZnO Surfaces from Ab-initio Calculations

- Materials Science
- 2011

We have studied the effect that applying self-interaction correction (SIC) to oxygen p orbitals has on the magnetic moment formation of three polar ZnO surfaces; all of them being oxygen terminated.…

Ferromagnetism of wide-bandgap semiconductor surfaces: Mg-doped AlN

- Materials Science
- 2015

The surface magnetism of Mg-doped AlN is investigated by the first-principles method. All studied surfaces, whether they are non-polar, polar or semi-polar, favor a ferromagnetic ground state, which…

Determinant influence of surfaces on the Co clustering trend at ZnO

- Materials Science
- 2011

Based on ab-initio calculations, we demonstrate that Co tends to cluster at the bulk host favoring [0001] planar structures. However, this tendency is modified at surfaces, involving energy…

Surface ferromagnetism in non-magnetic and dilute magnetic oxides

- Materials Science
- 2011

We explore hole-doping as an efficient route to develop magnetism in simple nonmagnetic oxides. Based on ab-initio calculations of the prototypical material ZnO, we show that local spin polarization…