Charge state of a transition metal impurity in II-VI semiconductors

A. V. Lukoyanov, I. A. Nekrasov, V. I. Sokolov, V. I. Anisimov

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1 Citation (Scopus)


The results of calculating the electronic structure of semiconductor compounds AIIBVI: 3d (A = Zn; B = S, Se, Te; 3d = Sc-Cu) at a low content of 3d impurities are discussed. The excess charge of an impurity ion with respect to the charge of the zinc ion is determined for the whole series of 3d impurities. It is found that the excess charge gradually varies from +0.6|e| for the scandium impurity to -0.2|e| for the copper impurity. Photoionization of an impurity ion is simulated by adding a hole or an electron to the impurity center. The added charge is redistributed between the impurity ion and its nearest neighbors, thus decreasing or increasing the total excess charge of the impurity center by a magnitude of ∼0.2|e|.

Original languageEnglish
Pages (from-to)1560-1562
Number of pages3
JournalPhysics of the Solid State
Issue number8
Publication statusPublished - 2005
Externally publishedYes


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