47 citations · 128 across the 3 of their papers we have counts for
3 papers
cond-mat.str-el2011★ 47 cited
Geometrical frustration in the spin liquid beta'-Me3EtSb[Pd(dmit)2]2 and the valence bond solid Me3EtP[Pd(dmit)2]2
E. P. Scriven, B. J. Powell
We show that the electronic structures of the title compounds predicted by density functional theory (DFT) are well described by tight binding models. We determine the frustration…
cond-mat.str-el2009★ 40 cited
Effective Coulomb interactions within BEDT-TTF dimers
Edan Scriven, B. J. Powell
We calculate the effective Coulomb interactions between holes in dimers of the organic molecule BEDT-TTF in vacuo. We use density functional theory (DFT) to parameterise Hubbard mo…
cond-mat.str-el2008★ 41 cited
Towards the parameterisation of the Hubbard model for salts of BEDT-TTF: A density functional study of isolated molecules
Edan Scriven, B. J. Powell
We calculate the effective Coulomb repulsion between electrons/holes, U, and site energy for an isolated BEDT-TTF [bis(ethylenedithio)tetrathiafulvalene] molecule in vacuo. U=4.2 \…