3 papers
cond-mat.str-el2019
Interplay of dipoles and spins in -(BEDT-TTF), where Hg(SCN)Cl, Hg(SCN)Br, Cu[N(CN)]Cl, Cu[N(CN)]Br, and Ag(CN)
A. C. Jacko, E. P. Kenny, B. J. Powell
We combine first principles density functional calculations with empirical relationships for the Coulomb interactions in the `monomer' model of -(BEDT-TTF). This enables us…
cond-mat.str-el2019
Frustration, ring exchange, and the absence of long-range order in EtMeSb[Pd(dmit)]: from first principles to many-body theory
E. P. Kenny, G. David, N. Ferré +2
We parameterize Hubbard and spin models for EtMeSb[Pd(dmit)] from broken symmetry density functional calculations. This gives a scalene triangular model where the large…
cond-mat.str-el2019
Towards mechanomagnetics in elastic crystals: insights from [Cu(acac)]
E. P. Kenny, A. C. Jacko, B. J. Powell
We predict that the magnetic properties of \cuacac, an elastically flexible crystal, change dramatically when the crystal is bent. We find that unbent \cuacac\ is an almost perfect…