| Project/Area Number |
24760024
|
|---|
| Research Category |
Grant-in-Aid for Young Scientists (B)
|
| Allocation Type | Multi-year Fund |
|---|
| Research Field |
Thin film/Surface and interfacial physical properties
|
|---|
| Research Institution | University of Tsukuba |
|---|
Principal Investigator |
|
|---|
| Project Period (FY) |
2012-04-01 – 2014-03-31
|
| Project Status |
Completed (Fiscal Year 2013)
|
| Budget Amount *help |
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2013: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2012: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
|
|---|
| Keywords | 物性理論 / 分子性固体 / 半導体物性 / 有機半導体 / 電子伝導 / シミュレーション / Hall効果 / ポーラロン / ホール効果 |
|---|
| Research Abstract |
Recently the organic semiconductors are expected to be a candidate of next generation device materials and attract much attention. To clarify the unknown charge transport mechanism of organic semiconductors from an atomistic viewpoint, I developed the large-scale quantum transport calculation method called as the "Time-Dependent Wave-Packet Diffusion method", which enable us to simulate the charge transport properties of molecular crystals consisting of a few million small molecules. I extracted the material parameters from the density functional theory calculations including the van der Waals interactions, and then I investigated the difference of transport properties between the pentacene and rubrene single crystals. Furthermore, I have studied numerically the Hall effects of these organic semiconductors.
|
