Many-body effects and the metal-insulator transition at semiconductor surfaces and interfaces

被引:31
作者
Flores, F [1 ]
Ortega, J [1 ]
Pérez, R [1 ]
机构
[1] Univ Autonoma Madrid, Fac Ciencias, Dept Fis Teor Materia Condensada, E-28049 Madrid, Spain
关键词
D O I
10.1142/S0218625X99000421
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The aim of this paper is to present a general perspective of the different correlation effects appearing at semiconductor surfaces and interfaces. The unifying theoretical picture is the generalized Hubbard Hamiltonian. In a first step, we show how such Hamiltonians can be analyzed using both a local density approach and many-body techniques. This discussion shows how to determine the different electron-electron interaction parameters appearing in the generalized Hubbard Hamiltonian, from a set of restricted LDA calculations for the full surface. Then, different surfaces and interfaces are analyzed; in particular, we consider the Si(111)-(7 x 7), -(5 x 5) and -(3 x 3) reconstructions as well as the Si-rich SiC(111)-(root 3 x root 3) and -(3 x 3) surfaces. These Si-rich SiC(111) surfaces are shown to behave like a Mott-Hubbard insulator, while the Si(111) reconstructions are charge transfer systems presenting a variety of different behaviors; thus, the Si(111)-(7 x 7) is metallic, while the -(5 x 5) and the -(3 x 3) are found to be insulating. We have also analyzed the Sn/Ge(111)-(3 x 3) reconstruction, the alkali metal/GaAs(110) junction and the K/Si(111)-(root 3 x root 3)-B interface. Our discussion shows that the alkali metal/GaAs and K/Si(111) interfaces present also a Mott-Hubbard metal-insulator transition, and that the Sn/Ge(111)-(3 x 3) interface is still metallic in spite of nonnegligible many-body effects appearing in the surface band density of states. We conclude that two-dimensional systems at semiconductor surfaces and interfaces present a rich variety of many-body effects that modify substantially the one-electron picture one gets from LDA calculations.
引用
收藏
页码:411 / 433
页数:23
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