Liquid-Liquid Transition in Supercooled Silicon Determined by First-Principles Simulation
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چکیده
منابع مشابه
Liquid-liquid transition in supercooled silicon determined by first-principles simulation.
First-principles molecular dynamics simulations reveal a liquid-liquid phase transition in supercooled elemental silicon. Two phases coexist below Tc approximately 1232 K and above pc approximately -12 kB. The low-density phase is nearly tetracoordinated, with a pseudogap at the Fermi surface, while the high-density phase is more highly coordinated and metallic in nature. The transition is obse...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2009
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.102.075701