4 papers · 1 filter
Incommensurate Transverse Anisotropy Induced by Disorder and Spin-Orbit-Vibron Coupling in Mn12-acetate
Kyungwha Park, Mark R. Pederson, Tunna Baruah +7
It has been shown within density-functional theory that in Mn-acetate there are effects due to disorder by solvent molecules and a coupling between vibrational and electroni…
Tight-binding study of structure and vibrations of amorphous silicon
J. L. Feldman, N. Bernstein, D. A. Papaconstantopoulos +1
We present a tight-binding calculation that, for the first time, accurately describes the structural, vibrational and elastic properties of amorphous silicon. We compute the intera…
Second-order transverse magnetic anisotropy induced by disorders in the single-molecule magnet Mn12
Kyungwha Park, Tunna Baruah, Noam Bernstein +1
For the single-molecule magnet Mn12, Cornia et al. recently proposed that solvent molecules may cause the quantum tunneling that requires a lower symmetry than S4. However, magneti…
Electronic, magnetic, and vibrational properties of the molecular magnet Mn4 monomer and dimer
Kyungwha Park, Mark R. Pederson, Noam Bernstein
A new type of the single-molecule magnet [Mn_4 O_3 Cl_4 (O_2 CEt)_3(py)_3] forms dimers. Recent magnetic hysteresis measurements on this single-molecular magnet revealed interestin…