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砷化镓/砷化铝超晶格各向异性介电张量的从头计算

Ab Initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices.

作者信息

Botti Silvana, Vast Nathalie, Reining Lucia, Olevano Valerio, Andreani Lucio Claudio

机构信息

Laboratoire des Solides Irradiés, UMR 7642 CNRS-CEA, Ecole Polytechnique, F-91128 Palaiseau, France.

出版信息

Phys Rev Lett. 2002 Nov 18;89(21):216803. doi: 10.1103/PhysRevLett.89.216803. Epub 2002 Nov 4.

Abstract

The static dielectric properties of (001)(GaAs)(p)/(AlAs)(p) superlattices have been calculated as a function of their period p for 1< or = p < or =12, starting from density-functional theory. The interplay between quantum confinement and local field effects is shown to be crucial. For light polarized in the growth direction it leads to the otherwise surprising justification of the use of a classical effective medium theory, even for the smallest periods. Only the inclusion of both contributions allows in ab initio and in semiempirical calculations to reproduce the experimentally observed birefringence.

摘要

从密度泛函理论出发,计算了(001)(砷化镓)(p)/(砷化铝)(p)超晶格的静态介电性质,其作为周期p的函数,其中1≤p≤12。结果表明,量子限制和局部场效应之间的相互作用至关重要。对于沿生长方向偏振的光,即使对于最小的周期,这也导致了使用经典有效介质理论的出人意料的合理性。只有同时包含这两种贡献,才能在从头算和半经验计算中重现实验观察到的双折射。

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