All Outputs (7)

Shifting Schottky barrier heights with ultra-thin dielectric layers (2011)
Journal Article
Lin, L., Robertson, J., & Clark, S. (2011). Shifting Schottky barrier heights with ultra-thin dielectric layers. Microelectronic Engineering, 88(7), 1461-1463. https://doi.org/10.1016/j.mee.2011.03.049

On the identification of the oxygen vacancy in HfO(2) (2011)
Journal Article
Clark, S., Lin, L., & Robertson, J. (2011). On the identification of the oxygen vacancy in HfO(2). Microelectronic Engineering, 88(7), 1464-1466. https://doi.org/10.1016/j.mee.2011.03.078

The single positively charge oxygen vacancy in HfO2 is found to undergo a symmetry breaking distortion to a C2v symmetry, driven by electron localization, which is consistent with the experimentally observed electron spin resonance signal. This compl... Read More about On the identification of the oxygen vacancy in HfO(2).

Characterisation of the GAG-binding properties of complement factor H, an immune regulator associated with AMD (2011)
Journal Article
Clark, S., Herbert, A., Uhrin, D., Hakobyan, S., Morgan, B., Bishop, P., & Day, A. (2011). Characterisation of the GAG-binding properties of complement factor H, an immune regulator associated with AMD. International Journal of Experimental Pathology, 92(3), A37-A38

Calculation of infrared and Raman vibration modes of magnesite at high pressure by density-functional perturbation theory and comparison with experiments (2011)
Journal Article
Clark, S. J., Jouanna, P., Haines, J., & Mainprice, D. (2011). Calculation of infrared and Raman vibration modes of magnesite at high pressure by density-functional perturbation theory and comparison with experiments. Physics and Chemistry of Minerals, 38(3), 193-202. https://doi.org/10.1007/s00269-010-0395-y

Ab initio transition state searching in complex systems: Fatty acid decarboxylation in minerals (2011)
Journal Article
Geatches, D., Greenwell, H., & Clark, S. (2011). Ab initio transition state searching in complex systems: Fatty acid decarboxylation in minerals. The Journal of Physical Chemistry A, 115(12), 2658-2667. https://doi.org/10.1021/jp200106x

Because of the importance of mineral catalyzed decarboxylation reactions in both crude oil formation and, increasingly, biofuel production, we present a model study into the decarboxylation of the shortest fatty acid, propionic acid C2H5COOH, into an... Read More about Ab initio transition state searching in complex systems: Fatty acid decarboxylation in minerals.

Calculation of semiconductor band structures and defects by the screened exchange density functional (2011)
Journal Article
Clark, S., & Robertson, J. (2011). Calculation of semiconductor band structures and defects by the screened exchange density functional. physica status solidi (b) – basic solid state physics, 248(3), 537-546. https://doi.org/10.1002/pssb.201046110

Limits to doping in oxides (2011)
Journal Article
Robertson, J., & Clark, S. (2011). Limits to doping in oxides. Physical review B, 83(7), Article 075205. https://doi.org/10.1103/physrevb.83.075205

The chemical trends of limits to doping of many semiconducting metal oxides is analyzed in terms of the formation energies needed to form the compensating defects. The n-type oxides are found to have high electron affinities and charge neutrality lev... Read More about Limits to doping in oxides.