| Budget Amount *help |
¥47,710,000 (Direct Cost: ¥36,700,000、Indirect Cost: ¥11,010,000)
Fiscal Year 2017: ¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2016: ¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2015: ¥10,010,000 (Direct Cost: ¥7,700,000、Indirect Cost: ¥2,310,000)
Fiscal Year 2014: ¥14,820,000 (Direct Cost: ¥11,400,000、Indirect Cost: ¥3,420,000)
Fiscal Year 2013: ¥12,220,000 (Direct Cost: ¥9,400,000、Indirect Cost: ¥2,820,000)
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| Outline of Final Research Achievements |
We combined three theoretical approaches in order to investigate the spin states and electronic properties of solid surfaces that can be a promising candidate as substrates for molecular devices. (1) By using the van-der-Waals density functional theory, we clarified the most stable atomic configuration of a benzene molecule on Si(001) and the atomic and electronic properties of a naphthalene overlayer on graphene. (2) By calculating the electronic structure of semi-infinite surfaces rather than a slab model, we studied the Rashba spin splitting of Shockley surface states on metal surfaces and the electronic structure of monolayer silicene and graphene adsorbed on metal substrates. (3) We developed a computational code that can evaluate time-evolution of a many-electron electron wave packet in low-dimensional nano-structures. An an example we studied transient current in a quantum-well system connected to more than one leads under the application of an external electromagnetic field.
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