2014 Fiscal Year Final Research Report
Adiabatic approximation violation on electronic structure due to quantum effect of hydrogen
| Project/Area Number |
25620009
|
|---|
| Research Category |
Grant-in-Aid for Challenging Exploratory Research
|
| Allocation Type | Multi-year Fund |
|---|
| Research Field |
Physical chemistry
|
|---|
| Research Institution | University of Tsukuba |
|---|
Principal Investigator |
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
HARADA Yoshihisa 東京大学, 物性研究所, 准教授 (70333317)
MATSUO Motoaki 東北大学, 金属材料研究所, 講師 (20509038)
|
|---|
| Co-Investigator(Renkei-kenkyūsha) |
FUKUTANI Katsuyuki 東京大学, 生産技術研究所, 教授 (10228900)
ORIMO Shinichi 東北大学, 金属材料研究所, 教授 (40284129)
TATEYAMA Yoshitaka 物質・材料研究機構, MANA独立研究者 (70354149)
SODEYAMA Keitaro 物質・材料研究機構, NIMSポスドク研究員 (40386610)
|
|---|
| Project Period (FY) |
2013-04-01 – 2015-03-31
|
| Keywords | 水素 / 断熱近似 / 軟X線発光分光 / 軟X線ラマン散乱 / 第一原理計算 |
|---|
| Outline of Final Research Achievements |
A comparative study on the electronic structure between Mg2FeH6 and Mg2FeD6 was made by means of synchrotron radiation. The resonant excitation from Fe2p to unoccupied states, which induces inelastic X-ray scatterings, was used. We observed 2.6 eV Raman shift ascribed to the electronic Raman scatterings and also the vibronic Raman scatterings with ~ 100 meV shifts. A vibronic scattering can be attributed to the Fe-H or Fe-D symmetric stretch mode due to the clear isotope effect with the factor of root mean square of 2. The second excitation also appears on the spectra. This implies the strong electron-phonon coupling in this system. A large isotope effect is also seen on the electronic Raman shift. The origin is, however, still an open question, which requires further experiments.
|
| Free Research Field |
固体の電子状態
|
