616 citations · 2.3k across the 15 of their papers we have counts for
15 papers
ECP SOLLVE: Validation and Verification Testsuite Status Update and Compiler Insight for OpenMP
Thomas Huber, Swaroop Pophale, Nolan Baker +9
The OpenMP language continues to evolve with every new specification release, as does the need to validate and verify the new features that have been introduced. With the release o…
Electronic properties of graphene nanoribbons under gate electric fields
Tobias Burnus, Gustav Bihlmayer, Daniel Wortmann +3
Quantum-dot states in graphene nanoribbons (GNR) were calculated using density-functional theory, considering the effect of the electric field of gate electrodes. The field is para…
Libxc: a library of exchange and correlation functionals for density functional theory
Miguel A. L. Marques, Micael J. T. Oliveira, Tobias Burnus
The central quantity of density functional theory is the so-called exchange-correlation functional. This quantity encompasses all non-trivial many-body effects of the ground-state…
Orbital order in La0.5Sr1.5MnO4: beyond a common local Jahn-Teller picture
Hua Wu, C. F. Chang, O. Schumann +9
The standard way to find the orbital occupation of Jahn-Teller (JT) ions is to use structural data, with the assumption of a one-to-one correspondence between the orbital occupatio…
Crystal-field and Kondo scale investigation of CeMIn5 (M=Co, Ir and Rh): a combined x-ray absorption and inelastic neutron study
T. Willers, Z. Hu, N. Hollmann +15
Linear polarized soft-x ray absorption (XAS) and inelastic neutron scattering (INS) experiments have been performed on CeMIn5 with M = Rh, Ir, and Co to determine the crystal-field…
Spin blockade, orbital occupation and charge ordering in La_(1.5)Sr_(0.5)CoO4
C. F. Chang, Z. Hu, Hua Wu +9
Using Co-L_(2,3) and O-K x-ray absorption spectroscopy, we reveal that the charge ordering in La_(1.5)Sr_(0.5)CoO4 involves high spin (S=3/2) Co^2+ and low spin (S=0) Co^3+ ions. T…