Daniel Fritsch

Pseudopotential band structures of rocksalt MgO, ZnO, and Mg1−xZnxO

The electronic properties of the rocksalt group-II oxides MgO and ZnO are investigated by means of the empirical pseudopotential method. Using a simple empty core model potential and experimentally known low-temperature transition energies of rocksalt MgO and wurtzite ZnO, we obtained cationic model potential parameters for Mg and Zn atoms, respectively. Making use of the transferability of ionic model potential parameters, we obtained one single set of anionic model potential parameters for the O atom. The electronic properties of the Mg1−xZnxO alloy system are investigated by means of the virtual crystal approximation for x<0.5 in the rocksalt phase.

First-principles calculation of magnetoelastic coefficients and magnetostriction in the spinel ferrites CoFe2O4 and NiFe2O4

We present calculations of magnetostriction constants for the spinel ferrites CoFe

Spin-filtering efficiency of ferrimagnetic spinels CoFe2O4 and NiFe2O4

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Self-consistent hybrid functional calculations: implications for structural, electronic, and optical properties of oxide semiconductors

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Proximity effect in superconductor/conical magnet heterostructures.

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Triplet superconductivity and proximity effect induced by Bloch and Néel domain walls

and NiFe

Electronic and Optical Properties of Sodium Niobate: A Density Functional Theory Study

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Spin-flipping with Holmium: case study of proximity effect in superconductor/ferromagnet/superconductor heterostructures

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Calculated optical properties of wurtzite GaN and ZnO

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Polarization-dependent optical transitions at the fundamental band gap and higher critical points of wurtzite ZnO

using density functional theory within the GGA+