DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method von Aradi, B, Hourahine, B, Frauenheim, Th

Volltext

Critical impact of Ehrlich–Schwöbel barrier on GaN surface morphology during homoepitaxial growth von Kaufmann, Nils. A.K., Lahourcade, L., Hourahine, B., Martin, D., Grandjean, N.

Volltext

Geometrical Mie theory for resonances in nanoparticles of any shape von Papoff, F, Hourahine, B

Volltext

Anomalous Ising freezing times von Denholm, J, Hourahine, B

Volltext

Non-destructive imaging of residual strains in GaN and their effect on optical and electrical properties using correlative light–electron microscopy von Naresh-Kumar, G., Edwards, P. R., Batten, T., Nouf-Allehiani, M., Vilalta-Clemente, A., Wilkinson, A. J., Le Boulbar, E., Shields, P. A., Starosta, B., Hourahine, B., Martin, R. W., Trager-Cowan, C.

Volltext

Plasmon modes in single gold nanodiscs von Imura, K, Ueno, K, Misawa, H, Okamoto, H, McArthur, D, Hourahine, B, Papoff, F

Volltext

Determining GaN Nanowire Polarity and its Influence on Light Emission in the Scanning Electron Microscope von Naresh-Kumar, G, Bruckbauer, J, Winkelmann, A, Yu, X, Hourahine, B, Edwards, P. R, Wang, T, Trager-Cowan, C, Martin, R. W

Volltext

Subgrain structure and dislocations in WC-Co hard metals revealed by electron channelling contrast imaging von Jablon, B.M., Mingard, K., Winkelmann, A., Naresh-Kumar, G., Hourahine, B., Trager-Cowan, C.

Volltext

Formation of Helices in Graphene Nanoribbons under Torsion von Nikiforov, I, Hourahine, B, Frauenheim, Th, Dumitrică, T

Volltext

The geometrical nature of optical resonances: from a sphere to fused dimer nanoparticles von Hourahine, B, Papoff, F

Volltext

Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)] von Hourahine, B., Aradi, B., Blum, V., Bonafé, F., Buccheri, A., Camacho, C., Cevallos, C., Deshaye, M. Y., Dumitrică, T., Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J., Irle, S., Jakowski, J., Kranz, J. J., Köhler, C., Kowalczyk, T., Kubař, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, S. K., Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J., Pecchia, A., Penazzi, G., Persson, M. P., Řezáč, J., Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W.-z., Frauenheim, T.

Volltext

Rapid nondestructive analysis of threading dislocations in wurtzite materials using the scanning electron microscope von Naresh-Kumar, G, Hourahine, B, Edwards, P R, Day, A P, Winkelmann, A, Wilkinson, A J, Parbrook, P J, England, G, Trager-Cowan, C

Volltext

Ewald summation on a helix: A route to self-consistent charge density-functional based tight-binding objective molecular dynamics von Nikiforov, I, Hourahine, B, Aradi, B, Frauenheim, Th, Dumitrică, T

Volltext

Self-Interaction and Strong Correlation in DFTB von Hourahine, B, Sanna, S, Aradi, B, Köhler, C, Niehaus, Th, Frauenheim, Th

Volltext

Structural and luminescence imaging and characterisation of semiconductors in the scanning electron microscope von Trager-Cowan, C, Alasmari, A, Avis, W, Bruckbauer, J, Edwards, P R, Ferenczi, G, Hourahine, B, Kotzai, A, Kraeusel, S, Kusch, G, Martin, R W, McDermott, R, Naresh-Kumar, G, Nouf-Allehiani, M, Pascal, E, Thomson, D, Vespucci, S, Smith, M D, Parbrook, P J, Enslin, J, Mehnke, F, Kuhn, C, Wernicke, T, Kneissl, M, Hagedorn, S, Knauer, A, Walde, S, Weyers, M, Coulon, P-M, Shields, P A, Bai, J, Gong, Y, Jiu, L, Zhang, Y, Smith, R M, Wang, T, Winkelmann, A

Volltext

Rare earth doped III-nitrides for optoelectronics von O'Donnell, K. P., Hourahine, B.

Volltext

Accurate light scattering for non spherical particles from Mie-type theory von Hourahine, B, Holms, K, Papoff, F

Volltext

Electron channelling contrast imaging for III-nitride thin film structures von Naresh-Kumar, G., Thomson, D., Nouf-Allehiani, M., Bruckbauer, J., Edwards, P.R., Hourahine, B., Martin, R.W., Trager-Cowan, C.

Volltext

Initial Steps toward Automating the Fitting of DFTB E rep(r) von Knaup, J. M, Hourahine, B, Frauenheim, Th

Volltext

An Efficient LDA+U Based Tight Binding Approach von Sanna, Simone, Hourahine, B, Gallauner, Th, Frauenheim, Th

Volltext