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ABINIT: First-principles approach to material and nanosystem properties

article by Xavier Gonze et al published December 2009 in Computer Physics Communications

Ab initio study of the one-monolayer Sb/Si(001) interface

Band Offsets at theSi/SiO2Interface from Many-Body Perturbation Theory

artículo científico publicado en 2008

Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications

Electronic properties of zircon and hafnon from many-body perturbation theory

scholarly article in Physical Review B, vol. 79 no. 19, May 2009

Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

scholarly article in Physical Review B, vol. 77 no. 16, April 2008

Polarization vortices in germanium telluride nanoplatelets: a theoretical study

artículo científico publicado en 2009

Quasiparticle calculations of the electronic properties ofZrO2andHfO2polymorphs and their interface with Si

scholarly article in Physical Review B, vol. 81 no. 3, January 2010

Structural, electronic, vibrational, and dielectric properties of LaBGeO5 from first principles

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