Polyamorphic transformations in liquid and amorphous silicon: A first-principles molecular-dynamics study
نویسنده
چکیده
Structural transformations between disordered phases, such as liquid-liquid and amorphousamorphous transformations (polyamorphic transformations), have been a focus of interest for the past years. In water, amorphous-amorphous transformation was experimentally observed and transformation between two distinct liquid forms has also been examined [1]. Since a typical atomic configuration of silicon (Si) is the same as that of water (i.e., tetrahedral structure), similar polyamorphic transformations are expected in liquid and amorphous silicon. In this study, isothermal-isobaric first-principles molecular-dynamics simulations [2] were performed to investigate polyamorphism in amorphous and liquid silicon.
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