514 citations · 945 across the 2 of their papers we have counts for
2 papers
cond-mat1999★ 431 cited
Improving the Efficiency of FP-LAPW Calculations
Max Petersen, Frank Wagner, Lars Hufnagel +3
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crysta…
cond-mat.mtrl-sci1998★ 514 cited
The hematite (alpha-Fe_2 O_3) (0001) surface: evidence for domains of distinct chemistry
X. -G. Wang, W. Weiss, Sh. K. Shaikhutdinov +5
Using spin-density functional theory we investigated various possible structures of the hematite (0001) surface. Depending on the ambient oxygen partial pressure, two geometries ar…