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cond-mat.mtrl-sci2010
Modeling materials with optimized transport properties
Peter Kratzer, Vladimir M. Fomin, B. Hülsen +1
Following demands for materials with peculiar transport properties, e.g. in magnetoelectronics or thermoelectrics, there is a need for materials modeling at the quantum-mechanical…
cond-mat.mtrl-sci2009★ 43 cited
Structural stability, magnetic and electronic properties of Co2MnSi(001)/MgO heterostructures: A density functional theory study
B. Hülsen, M. Scheffler, P. Kratzer
A computational study of the epitaxial Co2MnSi(001)/MgO(001) interface relevant to tunneling magnetoresistive (TMR) devices is presented. Employing ab initio atomistic thermodynami…