Fraunhofer-Gesellschaft

Publica

Hier finden Sie wissenschaftliche Publikationen aus den Fraunhofer-Instituten.
2021Atomistic analysis of Li migration in Li1+xAlxTi2-x(PO4)3 (LATP) solid electrolytes
Pfalzgraf, D.; Mutter, D.; Urban, D.F.
Zeitschriftenaufsatz
2021Atomistic calculations of charged point defects at grain boundaries in SrTiO3
Tao, C.; Mutter, D.; Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2021First-principles calculation of electroacoustic properties of wurtzite (Al,Sc)N
Urban, D.F.; Ambacher, Oliver; Elsässer, C.
Zeitschriftenaufsatz
2021First-principles calculations of phase stability, electronic structure, and defect properties of perovskites for SOFC/SOEC electrodes
Mutter, D.; Urban, D.F.; Elsässer, C.
Konferenzbeitrag
2021Influence of extended defects on the formation energy, hyperfine structure, and zero-field splitting of NV centers in diamond
Körner, W.; Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2021Wurtzite ScAlN, InAlN and GaAlN crystals, a comparison of structural, elastic, dielectric, and piezoelectric properties
Ambacher, O.; Christian, B.; Feil, N.; Urban, D.F.; Elsässer, C.; Prescher, M.; Kirste, L.
Zeitschriftenaufsatz
2020Determination of formation energies and phase diagrams of transition metal oxides with DFT+U
Mutter, D.; Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2019High-throughput screening of rare-earth-lean intermetallic 1-13-X compounds for good hard-magnetic properties
Krugel, G.; Körner, W.; Urban, D.F.; Gutfleisch, O.; Elsässer, C.
Zeitschriftenaufsatz
2019Interplay of charge-transfer and Mott-Hubbard physics approached by an efficient combination of self-interaction correction and dynamical mean-field theory
Lechermann, F.; Körner, W.; Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2018Compositional optimization of hard-magnetic phases with machine-learning models
Möller, J.; Körner, W.; Krugel, G.; Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2018Screening of rare-earth-lean intermetallic 1-11 and 1-11-X compounds of YNi9In2-type for hard-magnetic applications
Körner, W.; Krugel, G.; Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2017Atomic defects and dopants in ternary Z-phase transition-metal nitrides CrMN with M=V, Nb, Ta investigated with density functional theory
Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2017Enhancing the optoelectronic properties of amorphous zinc tin oxide by subgap defect passivation: A theoretical and experimental demonstration
Rucavado, E.; Jeangros, Q.; Urban, D.F.; Holovsky, J.; Remes, Z.; Duchamp, M.; Landucci, F.; Dunin-Borkowski, R.E.; Körner, W.; Elsässer, C.; Hessler-Wyser, A.; Morales-Masis, M.; Balif, C.
Zeitschriftenaufsatz
2016Mechanisms for p-type behavior of ZnO, Zn1−xMgxO, and related oxide semiconductors
Urban, D.F.; Körner, W.; Elsässer, C.
Zeitschriftenaufsatz
2015Generic origin of subgap states in transparent amorphous semiconductor oxides illustrated for the cases of In-Zn-O and In-Sn-O
Körner, W.; Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2014Prediction of subgap states in Zn- and Sn-based oxides using various exchange-correlation functionals
Körner, W.; Urban, D.F.; Ramo, D.M.; Bristowe, P.D.; Elsässer, C.
Zeitschriftenaufsatz
2013Adiabatic pumping in the quasi-one-dimensional triangle lattice
Schulze, M.; Bercioux, D.; Urban, D.F.
Zeitschriftenaufsatz
2013Origin of subgap states in amorphous In-Ga-Zn-O
Körner, W.; Urban, D.F.; Elsässer, C.
Zeitschriftenaufsatz
2013Rashba spin-orbit interaction in graphene armchair nanoribbons
Lenz, L.; Urban, D.F.; Bercioux, D.
Zeitschriftenaufsatz

 

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