无定形固体
材料科学
非晶硅
实验数据
包裹体(矿物)
统计物理学
硅
计算机科学
纳米技术
计算化学
热力学
晶体硅
物理
化学
结晶学
数学
光电子学
统计
作者
Parthapratim Biswas,De Nyago Tafen,Raymond Atta‐Fynn,D. A. Drabold
标识
DOI:10.1088/0953-8984/16/44/014
摘要
We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data. We illustrate our method with applications to amorphous silicon and glassy GeSe$_2$. The structural, vibrational and electronic properties of the models are found to be in agreement with experimental results. The method is general and can be extended to other complex materials.
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