65 citations · 196 across the 6 of their papers we have counts for
5 papers
Rare Earth Monopnictides and Monochalcogenides from First Principles: Towards an Electronic Phase Diagram of Strongly Correlated Materials
L. Petit, R. Tyer, Z. Szotek +2
We present results of an ab-initio study of the electronic structure of 140 rare earth compounds. Specifically we predict an electronic phase diagram of the entire range of rare ea…
Ab initio charge, spin and orbital energy scales in LaMnO3
R. Tyer, W. M. Temmerman, Z. Szotek +4
The first-principles SIC-LSD theory is utilized to study electronic, magnetic and orbital phenomena in LaMnO. The correct ground state is found, which is antiferro orbitally…
Ab-initio determination of the localized/delocalized f-manifold in UPd_2Al_3
L. Petit, A. Svane, W. M. Temmerman +2
The electronic structure of UPd_2Al_3 is described using the self-interaction corrected local-spin-density approximation to density functional theory. The groundstate is found to b…
Systematic theoretical study of the spin and orbital magnetic moments of 4d and 5d interfaces with Fe films
R. Tyer, G. van der Laan, W. M. Temmerman +2
Results of ab initio calculations using the relativistic Local Spin Density theory are presented for the magnetic moments of periodic 5d and 4d transition metal interfaces with bcc…
Comment on "Systematics of the Induced Magnetic Moments in 5d Layers and the Violation of the Third Hund's Rule"
R. Tyer, G. van der Laan, W. M. Temmerman +1
Comment on F. Wilhelm et al., Phys. Rev. Lett. 87, 207202 (2001)