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Many-body effects on Cr(001) surfaces: An LDA+DMFT study
M. Schüler, S. Barthel, M. Karolak +5
The electronic structure of the Cr(001) surface with its sharp resonance at the Fermi level is a subject of controversial debate of many experimental and theoretical works. To date…
Tuning the van der Waals Interaction of Graphene with Molecules via Doping
Felix Huttmann, Antonio J. Martínez-Galera, Vasile Caciuc +7
We use scanning tunneling microscopy to visualize and thermal desorption spectroscopy to quantitatively measure that the binding of naphthalene molecules to graphene (Gr), a case o…
Correlated electron behavior of metalorganic molecules: insights from density functional theory combined with many-body effects using exact diagonalization
Sumanta Bhandary, Malte Schüler, Patrik Thunström +5
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply dens…
Wannier Function Approach to Realistic Coulomb Interactions in Layered Materials and Heterostructures
M. Rösner, E. Şaşıoğlu, C. Friedrich +2
We introduce an approach to derive realistic Coulomb interaction terms in free standing layered materials and vertical heterostructures from ab-initio modelling of the correspondin…
Variational exact diagonalization method for Anderson impurity models
M. Schüler, C. Renk, T. O. Wehling
We describe a variational approach to solving Anderson impurity models by means of exact diagonalization. Optimized parameters of a discretized auxiliary model are obtained on the…
Separation of ultrafast spin currents and spin-flip scattering in Co/Cu(001) driven by femtosecond laser excitation via the complex MOKE
J. Wieczorek, A. Eschenlohr, B. Weidtmann +5
Ultrafast magnetization dynamics in metallic heterostructures consists of a combination of local demagnetization in the ferromagnetic constituent and spin-dependent transport contr…