S. Sanna et al., “Rare-earth silicide thin films on the Si(111) surface,” Physical Review B, vol. 93, no. 19, 2016.
LibreCat: /record/13485
DOI: 10.1103/physrevb.93.195407

M. Witte, U. Gerstmann, A. Neuba, G. Henkel, and W. G. Schmidt, “Density functional theory of the CuA-like Cu2 diamond core in Cu 2II(NGuaS)2Cl2,” Journal of Computational Chemistry, vol. 37, pp. 1005–1018, 2016.
LibreCat: /record/13487
DOI: 10.1002/jcc.24289

I. Miccoli et al., “Atomic size effects studied by transport in single silicide nanowires,” Physical Review B, 2016.
LibreCat: /record/13488
DOI: 10.1103/physrevb.93.125412

W. Schöfberger et al., “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water,” Angewandte Chemie International Edition, pp. 2350–2355, 2016.
LibreCat: /record/13491
DOI: 10.1002/anie.201508404

S. Tebi et al., “Manipulation resolves non-trivial structure of corrole monolayer on Ag(111),” Nanotechnology, vol. 27, 2016.
LibreCat: /record/13492
DOI: 10.1088/0957-4484/27/2/025704

A. Paulheim et al., “Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces,” Physical Chemistry Chemical Physics, vol. 18, pp. 32891–32902, 2016.
LibreCat: /record/13815
DOI: 10.1039/c6cp05661j

H. W. Yeom, D. M. Oh, S. Wippermann, and W. G. Schmidt, “Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array,” ACS Nano, vol. 10, pp. 810–814, 2016.
LibreCat: /record/13816
DOI: 10.1021/acsnano.5b05925

M. Rüsing et al., “Vibrational properties of LiNb1xTaxO3 mixed crystals,”10.1103/physrevb.93.184305__Physical Review B, 2016, doi:10.1103/physrevb.93.184305 .
LibreCat: /record/10026
DOI: 10.1103/physrevb.93.184305

M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory,” Journal of Physics: Condensed Matter, vol. 27, no. 38, 2015.
LibreCat: /record/10030
DOI: 10.1088/0953-8984/27/38/385402
WoS: 000362549700004
PMID: 26337951

S. Müllegger et al., “Mechanism for nuclear and electron spin excitation by radio frequency current,” Physical Review B, vol. 92, no. 22, 2015.
LibreCat: /record/13493
DOI: 10.1103/physrevb.92.220418

H. Aldahhak, W. G. Schmidt, and E. Rauls, “Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces,” Surface Science, pp. 278–281, 2015.
LibreCat: /record/13494
DOI: 10.1016/j.susc.2015.01.013

H. Aldahhak, E. Rauls, and W. G. Schmidt, “Diindenoperylene adsorption on Cu(111) studied with density-functional theory,” Surface Science, pp. 260–265, 2015.
LibreCat: /record/13495
DOI: 10.1016/j.susc.2015.03.007

F. Edler et al., “Interwire coupling forIn(4×1)/Si(111) probed by surface transport,” Physical Review B, vol. 92, no. 8, 2015.
LibreCat: /record/13496
DOI: 10.1103/physrevb.92.085426

A. Baghbanpourasl et al., “Water adsorbate influence on the Cu(110) surface optical response,” Surface Science, vol. 641, pp. 231–236, 2015.
LibreCat: /record/13497
DOI: 10.1016/j.susc.2015.07.020

M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt, “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations,” Journal of Computational Chemistry, vol. 36, no. 21–22, pp. 1672–1685, 2015.
LibreCat: /record/13498
DOI: 10.1002/jcc.23983

P. Thissen et al., “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol,” The Journal of Physical Chemistry C, vol. 119, pp. 16947–16953, 2015.
LibreCat: /record/13499
DOI: 10.1021/acs.jpcc.5b03816

A. Lücke, W. G. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann, “Influence of Structural Defects and Oxidation onto Hole Conductivity in HT,” The Journal of Physical Chemistry B, vol. 119, pp. 6481–6491, 2015.
LibreCat: /record/13500
DOI: 10.1021/acs.jpcb.5b03615

C. Klein et al., “Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films,” Physical Review B, vol. 91, no. 19, 2015.
LibreCat: /record/13502
DOI: 10.1103/physrevb.91.195441

H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” Physical Chemistry Chemical Physics, vol. 17, pp. 8776–8783, 2015.
LibreCat: /record/13503
DOI: 10.1039/c4cp05271d

S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” Computational Materials Science, vol. 103, pp. 145–150, 2015.
LibreCat: /record/13504
DOI: 10.1016/j.commatsci.2015.03.025