This article is cited in 5 papers

Electronic properties of semiconductors

Effect of fluorine, nitrogen, and carbon impurities on the electronic and magnetic properties of WO$_3$

I. R. Shein, A. L. Ivanovskii

Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg

Abstract: Within electron density functional theory with the use of the Vienna ab-initio simulation package (VASP), the effect of the $sp$ substitutional impurities of fluorine ($n$-type dopant), nitrogen, and carbon ($p$-type dopants) on the electronic and magnetic properties of tungsten trioxide WO$_3$ is studied. It is established that these impurities induce the transformation of tungsten trioxide (nonmagnetic semiconductor) into nonmagnetic metal (WO$_3$:F), magnetic semimetal (WO$_3$:N), or magnetic metal (WO$_3$:C) states.

Received: 09.06.2012
Accepted: 10.09.2012

 English version: Semiconductors, 2013, 47:6, 740–744

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