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First-principles studies of the structural and electronic properties of poly-para-phenylene vinylene (2004)
Journal Article
Zheng, G., Clark, S., Brand, S., & Abram, R. (2004). First-principles studies of the structural and electronic properties of poly-para-phenylene vinylene. Journal of Physics: Condensed Matter, 16(47), 8609-8620. https://doi.org/10.1088/0953-8984/16/47/013

We present first-principles investigations of the structural and electronic properties of PPV in both the isolated chain and the crystalline state. The calculations are mainly based on the local density approximation within density functional theory.... Read More about First-principles studies of the structural and electronic properties of poly-para-phenylene vinylene.

Ab initio studies of strained wurtzite GaN surfaces (2004)
Journal Article
Timon, V., Brand, S., Clark, S., & Abram, R. (2004). Ab initio studies of strained wurtzite GaN surfaces. Journal of Physics: Condensed Matter, 16(4), 531-542. https://doi.org/10.1088/0953-8984/16/4/002

In GaN and other group III nitrides the considerable lattice mismatch with the substrates normally employed during growth, such as sapphire, 6H-SiC and ZnO, can lead to the presence of strain which may affect the surface properties. Here we have stud... Read More about Ab initio studies of strained wurtzite GaN surfaces.