Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides von Xie, Wen-Hui, Xu, Ya-Qiong, Liu, Bang-Gui, Pettifor, D G

Volltext

Structure and metastability of mesoscopic vacancy and interstitial loop defects in iron and tungsten von Gilbert, M R, Dudarev, S L, Derlet, P M, Pettifor, D G

Volltext

Topologically close-packed phases in binary transition-metal compounds: matching high-throughput ab initio calculations to an empirical structure map von Hammerschmidt, T, Bialon, A F, Pettifor, D G, Drautz, R

Volltext

TCP phase predictions in Ni-based superalloys: Structure maps revisited von Seiser, B., Drautz, R., Pettifor, D.G.

Volltext

Photoinduced volume changes in amorphous selenium von HEGEDÜS, J, KOHARY, K, PETTIFOR, D. G, SHIMAKAWA, K, KUGLER, S

Volltext

Role of interaction anisotropy in the formation and stability of molecular templates von Weber, U K, Burlakov, V M, Perdigão, L M A, Fawcett, R H J, Beton, P H, Champness, N R, Jefferson, J H, Briggs, G A D, Pettifor, D G

Volltext

Magnetic properties of point defects in iron within the tight-binding-bond Stoner model von GUOQIANG LIU, NGUYEN-MANH, D, LIU, Bang-Gui, PETTIFOR, D. G

Volltext

Half-metallic ferromagnetism of MnBi in the zinc-blende structure von Xu, Ya-Qiong, Liu, Bang-Gui, Pettifor, D. G.

Volltext

Structure maps revisited von Pettifor, D G

Volltext

Entanglement between static and flying qubits in a semiconducting carbon nanotube von Gunlycke, D, Jefferson, J H, Rejec, T, Ramšak, A, Pettifor, D G, Briggs, G A D

Volltext

Construction, assessment, and application of a bond-order potential for iridium von Cawkwell, M. J., Nguyen-Manh, D., Pettifor, D. G., Vitek, V.

Volltext

Stability of carbon nanotubes: how small can they be? von Peng, L M, Zhang, Z L, Xue, Z Q, Wu, Q D, Gu, Z N, Pettifor, D G

Volltext

Modelling of spin-polarized electron tunnelling from 3d ferromagnets von Tsymbal, E Yu, Pettifor, D G

Volltext

Bond-order potentials: derivation and parameterization for refractory elements von Drautz, Ralf, Hammerschmidt, Thomas, ák, Miroslav, Pettifor, D G

Volltext

Non-collinear magnetism with analytic Bond-Order Potentials von Ford, Michael E, Pettifor, D G, Drautz, Ralf

Volltext

Electron theory in materials modeling von Pettifor, D.G.

Volltext

Bandgap modulation of narrow-gap carbon nanotubes in a transverse electric field von Gunlycke, D, Lambert, C. J, Bailey, S. W. D, Pettifor, D. G, Briggs, G. A. D, Jefferson, J. H

Volltext

Modeling the amorphous-to-crystalline phase transformation in network materials von KOHARY, K, BURLAKOV, V. M, PETTIFOR, D. G

Volltext

Electronic structure and energetics of LaNi5, α-La2Ni10H and β-La2Ni10H14 von NAKAMURA, H, NGUYEN-MANH, D, PETTIFOR, D. G

Volltext

Influence of vibrational entropy on structural stability of Nb–Si and Mo–Si systems at elevated temperatures von Chen, Yue, Hammerschmidt, T., Pettifor, D.G., Shang, Jia-Xiang, Zhang, Yue

Volltext