| Budget Amount *help |
¥15,990,000 (Direct Cost: ¥12,300,000、Indirect Cost: ¥3,690,000)
Fiscal Year 2017: ¥6,370,000 (Direct Cost: ¥4,900,000、Indirect Cost: ¥1,470,000)
Fiscal Year 2016: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
Fiscal Year 2015: ¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000)
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| Outline of Final Research Achievements |
The importance of the first principles calculation for the anharmonic effect of lattice vibration, which are related to design thermo electric materials and quantitatively evaluate electron - lattice interactions, has been increasing very much in recent years. The result of this research project is to implement calculation functions by linear and nonlinear density functional perturbation method and tools useful for analysis of lattice deformation and disturbed system in the first principle calculation program "RSDFT" for massively parallel computers. We aim to provide tools that contribute to material design related to the lattice and heat. We also conducted research on random electronic states such as SiGe alloys which show interesting electronic states as a thermoelectric conversion material.
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