39 citations · 104 across the 5 of their papers we have counts for
5 papers
First-principles study of the optical properties of MgxTi(1-x)H2
M. J. van Setten, S. Er, G. Brocks +2
The optical and electronic properties of Mg-Ti hydrides are studied using first-principles density functional theory. Dielectric functions are calculated for MgxTi(1-x)H2 with comp…
Spin tunneling in junctions with disordered ferromagnets
P. V. Paluskar, J. J. Attema, G. A. de Wijs +6
We provide compelling evidence to establish that, contrary to one's elementary guess, the tunneling spin polarization (TSP) of amorphous CoFeB is larger than that of highly texture…
Interrelation of work function and surface stability: the case of BaAl4
M. A. Uijttewaal, G. A. de Wijs, R. A. de Groot +3
The relationship between the work function (Phi) and the surface stability of compounds is, to our knowledge, unknown, but very important for applications such as organic light-emi…
Low work function of the (1000) Ca2N surface
M. A. Uijttewaal, G. A. de Wijs, R. A. de Groot
Polymer diodes require cathodes that do not corrode the polymer but do have low work function to minimize the electron injection barrier. First-principles calculations demonstrate…
Anisotropy of the Mobility of Pentacene from Frustration
Gilles A. de Wijs, Christine C. Mattheus, Robert A. de Groot +1
The bandstructure of pentacene is calculated using first-principles density functional theory. A large anisotropy of the hole and electron effective masses within the molecular pla…