2016 Fiscal Year Final Research Report
Analysis of nuclear quadrupolar resonance frequency components using the first principle calculation for electronic structure
| Project/Area Number |
25400342
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Condensed matter physics II
|
|---|
| Research Institution | Kobe University |
|---|
Principal Investigator |
|
|---|
| Project Period (FY) |
2013-04-01 – 2017-03-31
|
| Keywords | 核四重極共鳴 / 第一原理電子状態計算 / 強相関電子系 / 電場勾配 / 相転移 |
|---|
| Outline of Final Research Achievements |
We have studied the microscopic origin of nuclear quadrupole resonance frequencies through the separation of the electric field gradient obtained in the electronic structure calculation and the analysis of the external parameter dependence. Particularly, in SmB6, the electric field gradients are separated for two components from the inside of MT (muffin-tin) sphere and the outside. Then, the microscopic origin of the pressure dependence has been studied. In parallel, the influence on the electric field gradient due to the mass correction effect in the spin-orbit coupling has been studied, quantitatively. In addition, the calculations of the electric field gradient for many compounds have been carried out. Now, it is progressing to a unified understanding of the microscopic origin of the electric field gradient.
|
| Free Research Field |
固体電子論
|
