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中国物理学会期刊

不均匀的无规系统处理方法

CSTR: 32037.14.aps.29.1193

RANDOM SYSTEMS WITH INHOMOGENEOUS CONCENTRATION

CSTR: 32037.14.aps.29.1193
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  • 我们将过去处理一个均匀的无规二元系统对所有组态取系综平均的方法推广到处理不均匀的无规二元系统上。这系统的成分浓度不是常数而是有调制的。为处理这种系统,我们取了一个有限制的系综,并导出了推广的CPA方程。如果将浓度c(r)分成c及δc(r)两部分,就可以用一种分解的方式将系统的平均分成两次连续的平均,第一次对均匀浓度c取平均,第二次对不均匀的浓度δc取平均。在正弦调制的浓度下,本文将平均单粒子的格林函数和它的自能算到δc/c的第二阶项。对于虚晶体极限,我们得到与超晶格类似的能带分裂现象。

     

    The methods of configurational average of ensemble on a homogeneously random binary system is extended to treat a conditionally random binary system, where the concentration of one species c(r) is not a constant but modulated in a certain way. A restricted ensemble is chosen to describe such a system, the corresponding generalized CPA equation is derived. If we separate c(r) into c and δc(r), a decomposition scheme is introduced to average the uniform part c and deviation part dc successively. For a sinusoidal modulation, the averaged single-particle Green's function and its self-energy are calculated formally to the second order in δc/c. In the virtual crystal limit, the band splitting character of a superlattice is recovered.

     

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