PACS-CS FIRST 2005 2005 2 16
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IT IT H14~H16 CHASE CHASE-3PT Protein Protein-DF ABINIT-MP 17 2 28 4
CMOS Si-CMOS CMOS-LSI CMOS ATP 10nm 17 2 28 5
17 2 28 6 CMOS CMOS-LSI LSI 90nm CMOS 90nm CMOS SiO2 SiO2 1.2 1.2nm nm Si Si SiO SiO 2 (ε=3.9) =3.9) High High-k CMOS CMOS Si Si High High-k (ε>10) >10) High High-k Al2O3 Al2O3
Paradigm shift Bottom-up paradigm Top-down paradigm Chem/Bio /Bio-inspired inspired assembly Pre-patterning Micro/nano fabrication Micro/nano lithography Micro/nano contact printing 17 2 28 7
N 3 N Hybrid Hybrid 17 2 28 8
1964: Density Density-Functional Theory Walter Kohn: (1998) 1982: (BHS) Si (1982) 1% 1% 17 2 28 9
1985: Car & Parrinello Si(111)-(7x7) DASDimer-Adatom-Stacking fault 1985 nm 2.2nm DAS 1992 DAS STM 2.2nm 700 700Si 17 2 28 10
17 2 28 11 CHASE CHASE-3PT 3PT PHASE PHASE ABCAP ABCAP UVSOR UVSOR Trans Trans Phonon Phonon STM STM Hybrid Hybrid OrderN OrderN XPS XPS CIAO CIAO CHASE CHASE-3PT 3PT MEMS MEMS
: PHASE, CIAO, ABCAP : PHASE, CIAO, ABCAP PHASE (PW) LDA, GGA Ultrasoft Ultrasoft, Troullier-Martins MartinsCIAO ABCAP ABCAP + GW FLAPW LDA, GGA, LDA+U 15 15 9 16 16 6 PHASE 17 17 6UVSOR, Hybrid http://www.fsis fsis.iis.u-tokyo.ac..ac.jp/theme/nanoscal/ 17 2 28 12
2005 2 15 15118 CIAO PHASE CIAO 17 2 28 13
: PHASE, CIAO, ABCAP PHASE, ABCAP, CIAO Si Si Fe Fe LaMnO 3 ABCAP Si Si(001) (001)STM PHASE 17 2 28 14
CVD Si Si HfO 2 SiO 2 /Si HfO 2 /Si TiSi 2 /Si SiON SiON/Si Ge/Si Hut clusters 50nm GeH4 GS-MBE MBE 17 2 28 15
Si Si/SiO2 PHASE Si/SiO2 /SiO2 400 weak bond Pb0 + trimer 20 nm Si/SiO 2 Si/HfO 2-17 2 28 16
Si Si CAMUS Si(001) (001) O 2 FP/TB/MM [001] Si Si FP TB MM 60 backbond oxidation 17 2 28 17
CAMUS-FSIS AFM AFM : AFM) SEM µ FP( ) TB( ) ~5000 MM( ) 0.0 psec 0.1 psec 0.2 psec Si Si 17 2 28 18
SiO2 90nm CMOS 30 25 20 15 10 5 M-PHz SiO2 1.2nm 0 SiO 2 Al 2 O 3 HfO 2 Zr-SiO 2 ZrO 2 CeO 2 (Hz) 17 2 28 19
HfO2, Al2O3 UVSOR HfO 2, Al 2 O 3 HfO 2 Monoclinic Tetragonal ε ave Lattice Electron Total Cubic 25.46 5.23 30.69 Tetragonal 39.17 5.04 44.21 Monoclinic 11.14 4.74 15.88 Exper.. (mon( mon.) ~5 16~25 α-al 2 O 3 ε ave Lattice Electron Total present 6.86 2.87 9.73 Exper. 3.06 9.68 3.17 9.25 17 2 28 20
UVSOR Ce Epitaxial CeO 2 (111)/Si Si(111) CeO 2 (MBE: Ce,O 3 ) Si = 0.35% (1) CeO 2 (= 52 ) > (26) (2) CeO a 0.6% 0.6% => ε = 1.3 (3) Ce 2 O 3 => CeO 2 Hexagonal Ce 2 O 3 Cubic Ce 2 O 3 a Dielectric constant 30 Electronic 25 Lattice 20 15 10 5 0 c-ce2o3 h-ce2o3 CeO2 CeO2 Theory Experiment [*] N. I. Santha et al., J. Am. Ceram. Soc., 87 (2004) 1233. 17 2 28 21
top-down down bottom-up High-k CMOS CNT High-k (ε>10) >10) Si 17 2 28 22
vs. Lippmann-Schwinger Schwinger N. Lang, Phys. Rev. B 52, 5335 (1995), Phys. Rev. Lett.. 72 150 (1994) Green Green NEGF J. Taylor, Phys. Rev. B 63, 245407 (2001) M. Brandbyge,, Phys. Rev. B 65, 165401 (2002) H. J. Choi and J. Ihm,, Phys. Rev. B 59, 2267 (1999), Phys. Rev. B67, 195315 (2003) 17 2 28 23
17 2 28 24 CNT CNT TRANS TRANS 6 4 2 0 2 1 0-1 6 4 2 0 2 1 0-1 2 1 0 0.8 0.6 0.4 0.2 0.0 4 2 0 0.8 0.6 0.4 0.2 0.0 CNT CNT Peapod Peapod C60@CNT C60@CNT 2 1 0 0.8 0.6 0.4 0.2 0.0 C120 C120
Conductance ( x G 0 ) 0.05 0.04 0.03 0.02 0.01 Switching 0 90 80 70 60 50 Elevation angle ( deg ) 40 17 2 28 25
DNA Poly( Poly(dG)-poly( poly(dc) Poly(dG dg)-poly( poly(dc) ) gap=1.4~2 ev X PO 4 - PO 4- X Mg ++ cation PO 4 - PO 4- Mg ++ X PO 4 - PO 4- X X PO 4 - PO 4- X Blue=LUMO, Red=HOMO HOMO/LUMO guanine guanine C G G: guanine C: cytosine 17 2 28 Kino, et al.: JPSJ 2004 26
DNA HF Ferromagnetic α β s(mg)-p(o) anti-bond LUMO HOMO SOMO LUMO hole- doping 17 2 28 27
CNT NEMS CNT CNT CNT 17 2 28 28
screw gear bearing K,Miura, et al, PRL 90, 055509 (2003) Takagi, Uda,, and Ohno: : JCP (in press) 17 2 28 29
17 2 28 30 CHASE CHASE-3PT 3PT - PHASE PHASE ABCAP ABCAP Epsilon Epsilon Trans Trans Phonon Phonon STM STM Hybrid Hybrid OrderN OrderN XPS XPS CIAO CIAO CHASE CHASE-3PT 3PT Pt
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