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13 papers · 1 filter
A molecular perspective of water at metal interfaces
Javier Carrasco, Andrew Hodgson, Angelos Michaelides
Water/solid interfaces are relevant to a broad range of physicochemical phenomena and technological processes such as corrosion, lubrication, heterogeneous catalysis and electroche…
Emergence of a Dynamic Super-Structural Order Integrating Antiferroelectric and Antiferrodistortive Competing Instabilities in EuTiO3
Jong-Woo Kim, Paul Thompson, Simon Brown +5
Microscopic structural instabilities of EuTiO3 single crystal were investigated by synchrotron x-ray diffraction. Antiferrodistortive (AFD) oxygen octahedral rotational order was o…
Reversible Control of Magnetic Interactions by Electric Field in a Single Phase Material
P. J. Ryan, J. -W. Kim, T. Birol +9
Intrinsic magnetoelectric coupling describes the interaction between magnetic and electric polarization through an inherent microscopic mechanism in a single phase material. This p…
Self-compensation in highly n-type InN
C. Rauch, F. Tuomisto, P. D. C. King +3
Acceptor-type defects in highly n-type InN are probed using positron annihilation spectroscopy. Results are compared to Hall effect measurements and calculated electron mobilities.…
Electron-hole pair creation by atoms incident on a metal surface
J. R. Trail, D. M. Bird, M. Persson +1
Electron-hole pair creation by an adsorbate incident on a metal surface is described using \textit{ab initio} methods. The approach starts with standard first principles electronic…
Energy loss of atoms at metal surfaces due to electron-hole pair excitations: First-principles theory of "chemicurrents"
J. R. Trail, M. C. Graham, D. M. Bird +2
A method is presented for calculating electron-hole pair excitation due to an incident atom or molecule interacting with a metal surface. Energy loss is described using an \textit{…