P. Thissen, V. Thissen, S. Wippermann, Y. J. Chabal, G. Grundmeier, and W. G. Schmidt, “pH-dependent structure and energetics of O/MgO(100),” Surface Science, vol. 606, pp. 902–907, 2012.
LibreCat: /record/13548
DOI: 10.1016/j.susc.2012.01.018

R. Hölscher, S. Sanna, and W. G. Schmidt, “Adsorption of OH and H at the LiNbO3(0001) surface,” physica status solidi (c), vol. 9, no. 6, pp. 1361–1365, 2012.
LibreCat: /record/13560
DOI: 10.1002/pssc.201100534

W. G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N. J. Vollmers, and U. Gerstmann, “In-Si(111)(4×1)/(8×2) nanowires: Electron transport, entropy, and metal-insulator transition,” physica status solidi (b), vol. 249, no. 2, pp. 343–359, 2012.
LibreCat: /record/13820
DOI: 10.1002/pssb.201100457

F. Zirkelbach, B. Stritzker, K. Nordlund, W. G. Schmidt, E. Rauls, and J. K. N. Lindner, “First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon,”10.1002/pssc.201200198__physica status solidi (c), vol. 9, no. 10–11, pp. 1968–1973, 2012, doi:10.1002/pssc.201200198 .
LibreCat: /record/4136
DOI: 10.1002/pssc.201200198

G. Berth, W. Hahn, V. Wiedemeier, A. Zrenner, S. Sanna, and W. G. Schmidt, “Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy,” Ferroelectrics, vol. 420, pp. 44–48, 2011.
LibreCat: /record/13561
DOI: 10.1080/00150193.2011.594774

W. G. Schmidt, M. Babilon, C. Thierfelder, S. Sanna, and S. Wippermann, “Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array,” Physical Review B, vol. 84, no. 11, 2011.
LibreCat: /record/13563
DOI: 10.1103/physrevb.84.115416

L. S. dos Santos, W. G. Schmidt, and E. Rauls, “Group-VII point defects in ZnSe,” Physical Review B, vol. 84, no. 11, 2011.
LibreCat: /record/13564
DOI: 10.1103/physrevb.84.115201

S. Müllegger et al., “Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System,” ACS Nano, vol. 5, no. 8, pp. 6480–6486, 2011.
LibreCat: /record/13565
DOI: 10.1021/nn201708c

F. Hoehne et al., “Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures,” Physical Review Letters, vol. 106, no. 19, 2011.
LibreCat: /record/13566
DOI: 10.1103/physrevlett.106.196101

A. Konopka et al., “Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors,” Optical Materials, vol. 33, pp. 1041–1044, 2011.
LibreCat: /record/13567
DOI: 10.1016/j.optmat.2010.12.005

C. Mietze et al., “Band offsets in cubic GaN/AlN superlattices,” Physical Review B, vol. 83, no. 19, 2011.
LibreCat: /record/13568
DOI: 10.1103/physrevb.83.195301

P. P. Favero, A. C. Ferraz, W. G. Schmidt, and R. Miotto, “Driving forces for the adsorption of cyclopentene on InP(001),” Surface Science, vol. 605, pp. 824–830, 2011.
LibreCat: /record/13569
DOI: 10.1016/j.susc.2011.01.027

S. Müllegger et al., “Asymmetric saddling of single porphyrin molecules on Au(111),” Physical Review B, vol. 83, no. 16, 2011.
LibreCat: /record/13570
DOI: 10.1103/physrevb.83.165416

C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, and W. G. Schmidt, “Methane adsorption on graphene from first principles including dispersion interaction,” Surface Science, vol. 605, pp. 746–749, 2011.
LibreCat: /record/13571
DOI: 10.1016/j.susc.2011.01.012

S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Vibrational properties of the LiNbO3 z-surfaces,” IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, vol. 58, no. 9, pp. 1751–1756, 2011.
LibreCat: /record/13823
DOI: 10.1109/tuffc.2011.2012

F. Zirkelbach, B. Stritzker, K. Nordlund, J. K. N. Lindner, W. G. Schmidt, and E. Rauls, “Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon,” Physical Review B, vol. 84, no. 6, 2011.
LibreCat: /record/13824
DOI: 10.1103/physrevb.84.064126

S. Sanna, C. Thierfelder, S. Wippermann, T. P. Sinha, and W. G. Schmidt, “Barium titanate ground- and excited-state properties from first-principles calculations,” Physical Review B, vol. 83, no. 5, 2011.
LibreCat: /record/13825
DOI: 10.1103/physrevb.83.054112

S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Localised Phonon Modes at LiNbO3(0001) Surfaces,”10.1080/00150193.2011.594396__Ferroelectrics, vol. 419, no. 1, pp. 1–8, 2011, doi:10.1080/00150193.2011.594396 .
LibreCat: /record/4543
DOI: 10.1080/00150193.2011.594396

C. Thierfelder, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Do we know the band gap of lithium niobate?,” Physica Status Solidi C, vol. 7, no. 2, pp. 362–365, 2010.
LibreCat: /record/13573
DOI: 10.1002/pssc.200982473
WoS: 000284313000057

U. Gerstmann, M. Rohrmüller, F. Mauri, and W. G. Schmidt, “Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces,” physica status solidi (c), vol. 7, no. 2, pp. 157–160, 2010.
LibreCat: /record/13574
DOI: 10.1002/pssc.200982462