Publications


2014

[66] M. R. Filip and F. Giustino
GW quasiparticle band gap of the hybrid organic-inorganic perovskite CH3NH3PbI3: Effect of spin-orbit interaction, semicore electrons, and self-consistency
Phys. Rev. B 90, 245145 (2014).

[65] M. R. Filip, G. E. Eperon, H. J. Snaith, and F. Giustino
Steric engineering of metal-halide perovskites with tunable optical band gaps
Nat. Commun. 5, 5757 (2014).

[64] C. Dette, M. A. Pérez-Osorio, C. S. Kley, P. Punke, C. E. Patrick, P. Jacobson, F. Giustino, S. J. Jung, and K. Kern
TiO2 anatase with a band gap in the visible region
Nano Lett. 14, 6533 (2014).

[63] C. E. Patrick and F. Giustino
Unified theory of electron-phonon renormalization and phonon-assisted optical absorption
J. Phys.: Condens. Matter 26, 365503 (2014).

[62] E. R. Margine and F. Giustino
Two-gap superconductivity in heavily n-doped graphene: Ab initio Migdal-Eliashberg theory
Phys. Rev. B 90, 014518 (2014).

[61] H. Hübener and F. Giustino
Linear optical response of finite systems using multiltishift linear system solvers
J. Chem. Phys. 141, 044117 (2014).

[60] R. D. Johnson, K. Cao, F. Giustino, and P. G. Radaelli
CaBaCo4O7: A ferrimagnetic pyroelectric
Phys. Rev. B 90, 045129 (2014).

[59] K. Cao, R. D. Johnson, F. Giustino, P. G. Radaelli, G-C. Guo, and L. He
First-principles study of multiferroic RbFe(MoO4)2
Phys. Rev. B 90, 024402 (2014).

[58] C. E. Patrick and F. Giustino
Structure of a water monolayer on the anatase TiO2(101) surface
Phys. Rev. Applied 2, 014001 (2014).

[57] H. Hübener and F. Giustino
Time-dependent density functional theory using atomic orbitals and the self-consistent Sternheimer equation
Phys. Rev. B 89, 085129 (2014).

[56] C. S. Kley, C. Dette, G. Rinke, C. E. Patrick, J. Čechal, S. J. Jung, M. Baur, M. Dürr, S. Rauschenbach, F. Giustino, S. Stepanow and K. Kern
Atomic-Scale Observation of Multiconformational Binding and Energy Level Alignment of Ruthenium-Based Photosensitizers on TiO2 Anatase
Nano Lett. 14, 563 (2014).


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