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

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

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

Raman scattering efficiency in LiTaO3 and LiNbO3 crystals
S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, W.G. Schmidt, Physical Review B 91 (2015).
LibreCat: /record/4332
DOI: 10.1103/physrevb.91.224302

Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model
Y. Li, S. Sanna, W.G. Schmidt, The Journal of Chemical Physics (2014).
LibreCat: /record/10035
DOI: 10.1063/1.4883737

Modeling LiNbO3 Surfaces at Ambient Conditions
R. Hölscher, W.G. Schmidt, S. Sanna, The Journal of Physical Chemistry C (2014) 10213–10220.
LibreCat: /record/10036
DOI: 10.1021/jp502936f

IntrinsicLiNbO3point defects from hybrid density functional calculations
Y. Li, W.G. Schmidt, S. Sanna, Physical Review B 89 (2014).
LibreCat: /record/13514
DOI: 10.1103/physrevb.89.094111

Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge
S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.
LibreCat: /record/13515
DOI: 10.1016/j.apsusc.2014.01.104