Optical Properties and Excitonic Effects in Mo-S-I Nanowires
published: Jan. 18, 2008, recorded: October 2007, views: 2971
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In this contribution we discuss the role of excitons in the dielectric function and in the optical properties of Mo-S-I nanowires. We make use of the “EXCITING” package, developed in Graz. The package is based on the solution of the two-particle Bethe-Salpeter equation (BSE) for the electron-hole pairs and includes the electron-hole corre-lations. We focus on the Mo6S6 nanowires despite the fact that so far only its close relative Mo6Se6 has been synthesized. Mo6S6 has no bridging anions and the dressing anions are all S atoms. 2. It has very promising, strongly anisotropic mechanical as well as electronic properties.
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