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Bulk-like magnetic moments on Cr/Si(001) interfaces

Elsevier B.V.
Publication Date
DOI: 10.1016/0039-6028(92)91324-5


Abstract The two possible pseudomorphic interfaces of Cr/Si(001) heterojunction are studied by means of a self-consistent empirical tight-binding Hamiltonian within the Green function matching formalism. Self-consistency is achieved by taking advantage of the interface layered structure, the potential on atoms of the interface planes being calculated as due to the neighbour infinite planes uniformly charged. The interface Cr atomic magnetic moment (mm) at the Cr tensioned heterojunction (compressive biaxial strain) is the same value, 0.59μB, as that of the bulk Cr atoms. At the Si tensioned heterojunction (tensile biaxial strain), the interface Cr atomic mm is 0.61μB, slightly enhanced from the bulk value but much lower than the free Cr(001) surface atom mm's, 2.49μB. Similar results have been obtained previously for the unstrained Cr/GaAs(001) interface, hence it is concluded that strain effects at the Cr/semiconductor interface are considerably lower than the electronic interactions between both materials. Self-consistency is proved to be essential in the calculation.

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