Publication

Electronic structure of Zn, Cu and Ni impurities in germanium

Alexandra Sarabando de Carvalho
2011
Journal Articles

Abstract

We present a density functional modelling study of Zn, Cu and Ni impurities in hydrogen-terminated germanium clusters. Their electronic structure is investigated in detail, especially their Jahn-Teller instabilities and electrical levels. Interstitial and substitutional defects were considered and the latter were found to be the most stable defect form for nearly all Fermi level positions. Relative formation energies are estimated semi-empirically with the help of the measured formation energy of the single Ge vacancy. We find that while Zn is a double shallow acceptor, Cu and Ni are deep acceptors with levels close to the available experimental data. Donor levels were only found for interstitial Cu and Zn.

Official source

https://infoscience.epfl.ch/entities/publication/2d92bc21-37ca-472d-a857-6dba26913777

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Alexandra Sarabando de Carvalho
2011
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/2d92bc21-37ca-472d-a857-6dba26913777

About this result

Related concepts (32)

Fermi level

The Fermi level of a solid-state body is the thermodynamic work required to add one electron to the body. It is a thermodynamic quantity usually denoted by μ or EF for brevity. The Fermi level does not include the work required to remove the electron from wherever it came from. A precise understanding of the Fermi level—how it relates to electronic band structure in determining electronic properties; how it relates to the voltage and flow of charge in an electronic circuit—is essential to an understanding of solid-state physics.

Electronic band structure

In solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called band gaps or forbidden bands). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules.

Germanium

Germanium is a chemical element with the symbol Ge and atomic number 32. It is lustrous, hard-brittle, grayish-white and similar in appearance to silicon. It is a metalloid in the carbon group that is chemically similar to its group neighbors silicon and tin. Like silicon, germanium naturally reacts and forms complexes with oxygen in nature. Because it seldom appears in high concentration, germanium was discovered comparatively late in the discovery of the elements.

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Electronic structure of Zn, Cu and Ni impurities in germanium

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