@article{oai:kanazawa-u.repo.nii.ac.jp:00010849,
 author = {斎藤, 峯雄 and Sholihun, S. and Saito, Mineo and Ohno, Takahisa and Yamasaki, Takahiro},
 issue = {4},
 journal = {Japanese Journal of Applied Physics},
 month = {Aug},
 note = {By using first-principles calculations, we study the formation energy and concentration of the silicon monovacancy. We use large-scale supercells containing up to 1728 atomic sites and confirm the convergence of calculational results with respect to the cell size. The formation energy is calculated to be 3.46 eV, and the vacancy concentration at the silicon melting point is estimated to be 7.4 × 1016cm-3. These values are consistent with experimental results. We find that the vibrational effect significantly increases the vacancy concentration about 104 times. © 2015 The Japan Society of Applied Physics., Embargo Period 12 months, 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系},
 title = {Density-functional-theory-based calculations of formation energy and concentration of the silicon monovacancy},
 volume = {54},
 year = {2015}
}