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Optical response of the sodium alanate system from GW/BSE calculations
G. A. de Wijs, Michiel J. van Setten, G. Brocks, Kresse Georg (2010). Optical response of the sodium alanate system from GW/BSE calculations.
Article168 days agoThe viscosity of liquid iron at the physical conditions of the Earth's core
G. A. de Wijs, Kresse Georg, L. Vočadlo, D. P. Dobson, Dario Alfè, M. J. Gillan, G. D. Price (1998). The viscosity of liquid iron at the physical conditions of the Earth's core. Nature, 392(6678), pp. 805-807, DOI: 10.1038/33905.
Article179 days agoFirst-principles calculation of the phonon spectrum of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MgAl</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>spinel
G. A. de Wijs, Changming Fang, Kresse Georg, G. de With (2002). First-principles calculation of the phonon spectrum of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MgAl</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>spinel. Physical review. B, Condensed matter, 65(9), DOI: 10.1103/physrevb.65.094305.
Article179 days agoAnomalous behavior of the semiconducting gap in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">WO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>from first-principles calculations
G. A. de Wijs, P. K. de Boer, R. A. de Groot, Kresse Georg (1999). Anomalous behavior of the semiconducting gap in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">WO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>from first-principles calculations. Physical review. B, Condensed matter, 59(4), pp. 2684-2693, DOI: 10.1103/physrevb.59.2684.
Article179 days agoFirst-order phase transitions by first-principles free-energy calculations: The melting of Al
G. A. de Wijs, Kresse Georg, M. J. Gillan (1998). First-order phase transitions by first-principles free-energy calculations: The melting of Al. Physical review. B, Condensed matter, 57(14), pp. 8223-8234, DOI: 10.1103/physrevb.57.8223.
Article179 days ago