5 citations · 5 across the 3 of their papers we have counts for
5 papers
Magnetism in Exact Exchange Density Functional Theory
S. Sharma, J. K. Dewhurst, C. Persson +3
The magnetic properties of the intermetallic compound FeAl are investigated using exact exchange density functional theory. This is implemented within a state of the art all-electr…
Influence of Pressure on the Structure and Electronic Properties of the Layered Superconductor Y2C2I2
Kyungsoo Ahn, Reinhard K. Kremer, Arndt Simon +3
The structural properties under hydrostatic pressure up to 3 GPa of the layered rare earth carbide halide superconductor Y2C2I2 are studied by neutron powder diffraction at room te…
Linear optical properties of solids within the full-potential linearized augmented planewave method
C. Ambrosch-Draxl, J. O. Sofo
We present a scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method. A summary of the theoretical b…
Doping induced charge redistribution in the high temperature superconductor HgBa2CuO4
P. Süle, C. Ambrosch-Draxl, H. Auer +1
To understand the link between doping and electronic properties in high temperature superconductors, we report first-principles calculations on the oxygen doping effect for the sin…
Charge kinks as Raman scatterers in quarter-filled ladders
E. Ya. Sherman, C. Ambrosch-Draxl, P. Lemmens +2
Charge kinks are considered as fundamental excitations in quarter-filled charge-ordered ladders. The strength of the coupling of the kinks to the three-dimensional lattice depends…