Investigation of electronic structure and interaction of phosphorous incorporated in the Si(100) surface

2014 Fiscal Year Final Research Report

• Project/Area Number: 24510160
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Nanomaterials/Nanobioscience
• Research Institution: National Institute for Materials Science
• Principal Investigator: SAGISAKA Keisuke 独立行政法人物質・材料研究機構, 極限計測ユニット, 主任研究員 (70421401)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Keywords: ドーパント / シリコン / 走査型トンネル顕微鏡 / 第一原理計算

Outline of Final Research Achievements

Phosphorous-silicon heterodimer incorporated in the Si(100) surface was investigated by means of scanning tunneling microscopy (STM) and density functional theory (DFT). A comparison between experimental and simulated STM images obtained with various sample biases determined the structure of the P-Si heterodimer: The P atom is buckled down to the surface while the Si atom is buckled up to vacuum. This result rejects the previously suggested structure of the P-Si heterodimer. Scanning tunneling spectroscopy and DFT calculation revealed an intense density of state around the Fermi level and this state causes the bright feature of the P-Si heterodimer in the STM images. Furthermore, we found a candidate associated with phosphorous in an STM observation, which is predicted by DFT to bear a spin polarized charge density near the Fermi level. This will be experimentally investigated in the future.

Free Research Field

表面物性