Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory
M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).
LibreCat: /record/10030
DOI: 10.1088/0953-8984/27/38/385402
WoS: 000362549700004
PMID: 26337951

Defect complexes in congruentLiNbO3and their optical signatures
Y. Li, W.G. Schmidt, S. Sanna, Physical Review B (2015).
LibreCat: /record/10031
DOI: 10.1103/physrevb.91.174106

Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles
S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science (2015) 145–150.
LibreCat: /record/10033
DOI: 10.1016/j.commatsci.2015.03.025

Mechanism for nuclear and electron spin excitation by radio frequency current
S. Müllegger, E. Rauls, U. Gerstmann, S. Tebi, G. Serrano, S. Wiespointner-Baumgarthuber, W.G. Schmidt, R. Koch, Physical Review B 92 (2015).
LibreCat: /record/13493
DOI: 10.1103/physrevb.92.220418

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

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

Interwire coupling forIn(4×1)/Si(111) probed by surface transport
F. Edler, I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, W.G. Schmidt, C. Tegenkamp, Physical Review B 92 (2015).
LibreCat: /record/13496
DOI: 10.1103/physrevb.92.085426

Water adsorbate influence on the Cu(110) surface optical response
A. Baghbanpourasl, W.G. Schmidt, M. Denk, C. Cobet, M. Hohage, P. Zeppenfeld, K. Hingerl, Surface Science 641 (2015) 231–236.
LibreCat: /record/13497
DOI: 10.1016/j.susc.2015.07.020

The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations
M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, W.G. Schmidt, Journal of Computational Chemistry 36 (2015) 1672–1685.
LibreCat: /record/13498
DOI: 10.1002/jcc.23983

Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol
P. Thissen, E. Fuchs, K. Roodenko, T. Peixoto, B. Batchelor, D. Smith, W.G. Schmidt, Y. Chabal, The Journal of Physical Chemistry C 119 (2015) 16947–16953.
LibreCat: /record/13499
DOI: 10.1021/acs.jpcc.5b03816

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

Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films
C. Klein, N.J. Vollmers, U. Gerstmann, P. Zahl, D. Lükermann, G. Jnawali, H. Pfnür, C. Tegenkamp, P. Sutter, W.G. Schmidt, M. Horn-von Hoegen, Physical Review B 91 (2015).
LibreCat: /record/13502
DOI: 10.1103/physrevb.91.195441

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

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

Structure formation in diindenoperylene thin films on copper(111)
H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W.G. Schmidt, E. Rauls, Physical Chemistry Chemical Physics 17 (2015) 8776–8783.
LibreCat: /record/13505
DOI: 10.1039/c4cp05271d

Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals
A. Sanson, A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, W.G. Schmidt, S. Sanna, Physical Review B 91 (2015).
LibreCat: /record/13506
DOI: 10.1103/physrevb.91.094109

GaNm-plane: Atomic structure, surface bands, and optical response
M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser, Physical Review B 91 (2015).
LibreCat: /record/13507
DOI: 10.1103/physrevb.91.035302

A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry
A. Neuba, M. Rohrmüller, R. Hölscher, W.G. Schmidt, G. Henkel, Inorganica Chimica Acta 430 (2015) 225–238.
LibreCat: /record/13818
DOI: 10.1016/j.ica.2015.03.015

Den individuellen Lernprozess der Studierenden im Blick: Anders betreuen in modernen Laborpraktika
H.M. Probst, M. Sacher, N. Schaper, in: Mittendrin - Lehre im Dialog, 2015, pp. 275–276.
LibreCat: /record/29477

Neue Wege zur Konzeption eines kompetenzfördernden, studierendenzentrierten Laborpraktikums
M. Sacher, in: Mittendrin - Lehre im Dialog, 2015, pp. 106–112.
LibreCat: /record/29476