Electronic properties of three- and low-dimensional semiconducting materials with Pb halide and Sn halide units

被引:214
作者
Koutselas, IB [1 ]
Ducasse, L [1 ]
Papavassiliou, GC [1 ]
机构
[1] UNIV BORDEAUX 1,LAB PHYSICOCHIM THEOR,URA CNRS 503,F-33045 TALENCE,FRANCE
关键词
D O I
10.1088/0953-8984/8/9/012
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Band-structure calculations, semiempirical as well as ab initio, have been applied to study the electronic band gap of the new exotic natural low-dimensional MX systems (where M = Pb or Sn and X = I, Br or Cl). Moreover, variational calculations are employed to calculate the excitonic binding energies, whose amplification is due not only to the quantum confinement of the excitons but also to a dielectric enhancement effect. A single set of semiempirical parameters is sought to describe the materials; comparison of the calculations with experimental data shows this to be successful in the case of the PbI- and PbBr-containing compounds.
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页码:1217 / 1227
页数:11
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