Publication Date:
2014-12-23
Description:
Author(s): Shahrzad Karimi and Carsten A. Ullrich How well the various approximate exchange-correlation functionals in density functional theory capture the 3D to 2D crossover, observed, for example, for plasmon modes in quantum wells that approach the strictly two-dimensional limit? This work, inspired by several ground-state DFT studies performed a few years ago, examines this question in the dynamical case, using time-dependent DFT, and reveals that the (semi)local 3D exchange eventually breaks down, but remains valid for most practical applications. Also, it demonstrates that nonlocal, orbital-dependent functionals are the appropriate way to handle the dimensional crossover. [Phys. Rev. B 90, 245304] Published Mon Dec 22, 2014
Keywords:
Semiconductors II: surfaces, interfaces, microstructures, and related topics
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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