The results are reported of ab initio calculations on the magnetic ordering in NiO, a prototype of the antiferromagnetic insulator. By analyzing wave functions for different cluster models, information is obtained about the physical effects determining the sign and the magnitude of the magnetic coupling parameter J. The role of the edge oxygens, surrounding the essential unit (Ni2O), is found to be quantitatively important but purely environmental in contrast to the role of the bridging oxygen. Furthermore, the importance of electron correlation and the usefulness of pseudopotentials in the calculations is investigated. The final result for J compares reasonably with experiment (about 50%), and possible sources for the remaining discrepanci...
This letter extends my recent paper on antiferromagnetic NiO [Structural Distortion Stabilizing the...
Nickelous oxide, NiO, as normally prepared, consists of crystals larger than the colloidal range of ...
The magnetic properties of the transition metal monoxides MnO and NiO are investigated at equilibriu...
The results are reported of nb initio calculations on the magnetic ordering in NiO, a prototype of t...
The structural and magnetic properties of the Fe/NiO(100) interface have been theoretically studied ...
The effect of Fock exchange on the periodic description of the geometrical structure, elastic consta...
The structural and magnetic properties of the Fe/NiO(100) interface have been theoretically studied ...
High accuracy single crystal structure factor data sets, complete up to sin amp; 61553; amp; 61548;...
We present a laterally resolved X-ray magnetic dichroism study of the magnetic proximity effect in a...
Using the disordered local moments approach in combination with the ab initio molecular dynamics met...
We report evidence that the experimentally observed small deformation of antiferromagnetic NiO modif...
We use density-functional theory calculations to explore the magnetic properties of perovskite rare-...
We have performed angle-resolved-photoemission experiments and local-density-functional (LDA) band c...
We present a laterally resolved X-ray magnetic dichroism study of the magnetic proximity effect in a...
We explore the interplay of electron-electron correlations and surface effects in the prototypical c...
This letter extends my recent paper on antiferromagnetic NiO [Structural Distortion Stabilizing the...
Nickelous oxide, NiO, as normally prepared, consists of crystals larger than the colloidal range of ...
The magnetic properties of the transition metal monoxides MnO and NiO are investigated at equilibriu...
The results are reported of nb initio calculations on the magnetic ordering in NiO, a prototype of t...
The structural and magnetic properties of the Fe/NiO(100) interface have been theoretically studied ...
The effect of Fock exchange on the periodic description of the geometrical structure, elastic consta...
The structural and magnetic properties of the Fe/NiO(100) interface have been theoretically studied ...
High accuracy single crystal structure factor data sets, complete up to sin amp; 61553; amp; 61548;...
We present a laterally resolved X-ray magnetic dichroism study of the magnetic proximity effect in a...
Using the disordered local moments approach in combination with the ab initio molecular dynamics met...
We report evidence that the experimentally observed small deformation of antiferromagnetic NiO modif...
We use density-functional theory calculations to explore the magnetic properties of perovskite rare-...
We have performed angle-resolved-photoemission experiments and local-density-functional (LDA) band c...
We present a laterally resolved X-ray magnetic dichroism study of the magnetic proximity effect in a...
We explore the interplay of electron-electron correlations and surface effects in the prototypical c...
This letter extends my recent paper on antiferromagnetic NiO [Structural Distortion Stabilizing the...
Nickelous oxide, NiO, as normally prepared, consists of crystals larger than the colloidal range of ...
The magnetic properties of the transition metal monoxides MnO and NiO are investigated at equilibriu...