Abstract
Atomic scale computer simulations on structures and photoinduced volume changes of flatly and obliquely deposited amorphous selenium (a-Se) films have been carried out in order to understand how the properties of chalcogenide glasses are influenced by their preparation method. Obliquely deposited a-Se thin films contain more coordination defects and larger voids than the flatly deposited ones. To model the photoinduced volume changes the electron excitation and hole creation were treated independently within the framework of tight-binding formalism. Covalent and interchain bond breakings and formations were found. The obliquely deposited samples containing voids showed a wide spectrum of photoinduced structural changes in the microscopic level and volume changes in the macroscopic level.
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