3 papers
physics.atm-clus2008
Transition metal dimers as potential molecular magnets: A challenge to computational chemistry
Daniel Fritsch, Klaus Koepernik, Manuel Richter +1
Dimers are the smallest chemical objects that show magnetic anisotropy. We focus on 3 and 4 transition metal dimers that have magnetic ground states in most cases. Some of th…
cond-mat.str-el2008
Pressure-driven magnetic moment collapse in the ground state of MnO
Deepa Kasinathan, K. Koepernik, W. E. Pickett
The zero temperature Mott transition region in antiferromagnetic, spin S=5/2 MnO is probed using the correlated band theory LSDA+U method. The first transition encountered is an in…
cond-mat.str-el2000
The electronic structure of CuSiO3 - a possible candidate for a new inorganic spin-Peierls compound ?
H. Rosner, S. -L. Drechsler, K. Koepernik +2
Electronic structure calculations are presented for the well-known CuGeO3 and the recently discovered isostructural CuSiO3 compounds. The magnitude of the dispersion in chain direc…