4 papers
Ab initio many-body calculation of excitons in solid Ne and Ar
S. Galamic-Mulaomerovic, C. H. Patterson
Absorption spectra, exciton energy levels and wave functions for solid Ne and Ar have been calculated from first principles using many-body techniques. Electronic band structures o…
Competing crystal structures in La0.5Ca0.5MnO3: conventional charge order versus Zener polarons
Charles H. Patterson
Equilibrium crystal structures for La0.5Ca0.5MnO3 have been calculated using hybrid exact exchange and density functional methods. Two distinct ground states with either convention…
Spin Polaron Effective Magnetic Model for La_{0.5}Ca_{0.5}MnO_3
N. P. Konstantinidis, C. H. Patterson
The conventional paradigm of charge order for La_{1-x}Ca_xMnO_3 for x=0.5 has been challenged recently by a Zener polaron picture emerging from experiments and theoretical calculat…
Ferromagnetic Polarons in La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3
G. Zheng, C. H. Patterson
Unrestricted Hartree-Fock calculations on La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3 in the full magnetic unit cell show that the magnetic ground states of these compounds consist of 'fer…