[17p-B4-1~20] CS.10 Code-sharing Session of 6.6 & 12.2

5:45 PM - 6:00 PM JST(8:45 AM - 9:00 AM UTC)

[17p-B4-18] First-principles study of rectification properties of a single molecule cross-linking system

〇Miku Furushima¹, Mitsuharu Uemoto¹, Tomoya Ono¹ (1.Kobe Univ.)

Keywords:

molecular electronics,first-principles study

An experimental study revealed that Si2x2 molecule, a candidate for single molecule electronic devices, exhibits rectification properties while linking between Au electrodes. To understand the origin of the rectification properties, we built two kinds of models and obtained transmission properties as functions of biases by first-principles calculation.