Bocchini A, Neufeld S, Gerstmann U, Schmidt WG. Oxygen and potassium vacancies in KTP calculated from first principles. Journal of Physics: Condensed Matter. 2019;31:385401. doi:10.1088/1361-648x/ab295c
LibreCat: /record/13429
DOI: 10.1088/1361-648x/ab295c

Sanna S, Schmidt WG. LiNbO3 surfaces from a microscopic perspective. Journal of Physics: Condensed Matter. 2017. doi:10.1088/1361-648x/aa818d
LibreCat: /record/13418
DOI: 10.1088/1361-648x/aa818d

Giannozzi P, Andreussi O, Brumme T, et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter. 2017;29(46). doi:10.1088/1361-648x/aa8f79
LibreCat: /record/13803
DOI: 10.1088/1361-648x/aa8f79

Liu H, Heinze DF, Thanh Duc H, Schumacher S, Meier T. Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter. 2015;27(44). doi:10.1088/0953-8984/27/44/445501
LibreCat: /record/13922
DOI: 10.1088/0953-8984/27/44/445501

Liu H, Heinze DF, Thanh Duc H, Schumacher S, Meier T. Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter. 2015;27(44). doi:10.1088/0953-8984/27/44/445501
LibreCat: /record/22946
DOI: 10.1088/0953-8984/27/44/445501

Landmann M, Köhler T, Rauls E, Frauenheim T, Schmidt WG. The atomic structure of ternary amorphous TixSi1xO2hybrid oxides. Journal of Physics: Condensed Matter. 2014;26. doi:10.1088/0953-8984/26/25/253201
LibreCat: /record/13511
DOI: 10.1088/0953-8984/26/25/253201

Carrad DJ, Burke AM, Reece PJ, et al. The effect of (N)2Sxpassivation on the (311)A GaAs surface and its use in AlGaAs/GaAs heterostructure devices. Journal of Physics: Condensed Matter. 2013;25(32). doi:10.1088/0953-8984/25/32/325304
LibreCat: /record/7260
DOI: 10.1088/0953-8984/25/32/325304

Riedl T, Kirchner A, Eymann K, et al. Elemental distribution, solute solubility and defect free volume in nanocrystalline restricted-equilibrium Cu–Ag alloys. Journal of Physics: Condensed Matter. 2013;25(11). doi:10.1088/0953-8984/25/11/115401
LibreCat: /record/4111
DOI: 10.1088/0953-8984/25/11/115401

Schuster J, Kim TY, Batke E, Reuter D, Wieck AD. Photoluminescence lineshape features of carbon ;4-doped GaAs heterostructures. Journal of Physics: Condensed Matter. 2012;24(16). doi:10.1088/0953-8984/24/16/165801
LibreCat: /record/7325
DOI: 10.1088/0953-8984/24/16/165801

Landmann M, Rauls E, Schmidt WG. The electronic structure and optical response of rutile, anatase and brookite TiO2. Journal of Physics: Condensed Matter. 2012;24. doi:10.1088/0953-8984/24/19/195503
LibreCat: /record/13545
DOI: 10.1088/0953-8984/24/19/195503