Li ion diffusion in LiAlO 2 investigated by Raman spectroscopy

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

Natural Sciences, Computer Science, Physics +11

Nitride semiconductors free of electrostatic fields for efficient white light-emitting diodes

Patrick Waltereit, O. Brandt, A. Trampert et al. · Nature · 2000 · 1.7K citations

Engineering, Materials Engineering, Materials Science +15

Identification of cathode materials for lithium batteries guided by first-principles calculations

Gerbrand Ceder, Yet‐Ming Chiang, Donald R. Sadoway et al. · Nature · 1998 · 828 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +16

Infra-red spectra of inorganic aluminates and characteristic vibrational frequencies of AlO4 tetrahedra and AlO6 octahedra

P. Tarte · Spectrochimica Acta Part A Molecular Spectroscopy · 1967 · 692 citations · Full text

Natural Sciences, Chemistry, Materials Science +13

LDA and GGA calculations for high-pressure phase transitions in ZnO and MgO

John E. Jaffe, James A. Snyder · Physical review. B, Condensed matter · 2000 · 438 citations

Natural Sciences, Materials Science, Physics +17