computational solid state physics 計算物性学特論 akiko natori 名取 晃子 purpose to...
TRANSCRIPT
![Page 1: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/1.jpg)
Computational Solid State Physics計算物性学特論
Akiko Natori名取 晃子
Purpose
To understand fundamental solid state physics in nanostructures with computer simulation
計算機シミュレーションを用いて、ナノスケール原子構造の物性の基礎を理解する。
![Page 2: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/2.jpg)
Nanotechnology for electronics
How to make nanometer-scale structure?
What features of electronic properties are expected in nanometer-scale structure?
How to use the electronic properties for creating novel devices?
![Page 3: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/3.jpg)
Study
Atomic structure: Interaction between atoms Homogeneous structure: Gas, liquid and solid Solid: crystal, quasi-crystal and amorphous Heterogeneous structure: growth mode of thin films, quantum well, superlattice Electronic properties in nanometer-scale
structure: Electronic structure Transport properties
![Page 4: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/4.jpg)
Recommended textbooks
The physics of low-dimensional semiconductors, J.H. Davies, Cambridge University press
Mesoscopic electronics in solid state nanostructures, T.Heinzel, WILEY-VCH
Physics and applications of semiconductor microstructures, M.Jaros, Oxford Science Publications
Simulation for solid state physics, R.H.Silsbee and J.Drager, Cambridge University press
![Page 5: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/5.jpg)
Acknowledgements
My students, M. Hirayama, J. Ito, H. Masu and S. Wakui, helped to shape this e-Learning text. I am grateful for their help. I would also like to thank Prof. K. Natori in Tsukuba University for permitting me to use CASTEP. It is a pleasure to thank Prof. T. Okamoto and Prof. K. Nakayama in The University of Electro-Communications for giving me a chance and various convenience to make e-Learning text.
![Page 6: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/6.jpg)
CONTENTS
1. Introduction: What is nanotechnology?
2. Interactions between atoms and the lattice properties of crystals
3. Covalent bond and morphology of crystals, surfaces and interfaces
4. Electronic structure of crystals
5. Band offsets at hetero-interfaces and effective mass approximation
6. Pseudopotential
7. Many-body effect I: Hartree approximation, Hartree-Fock approximation and density functional method
8. Many-body effect II: Quantum Monte Carlo method
9. Transport properties I: Diffusive transport
10.Transport properties II: Ballistic transport
A1. Solutions
A2. Electronic properties of crystals: Calculation results by CASTEP
A3.Simulation for solid state physics
![Page 7: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/7.jpg)
Computational Solid State Physics
計算物性学特論 第1回
1. Introduction
What is nonotechnology?
![Page 8: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/8.jpg)
What is nano?
10-3 : m (Milli) 10-6 : μ (Maicro) 微 (び) 10-9 : n (Nano) 塵 (じん) 10-12 : p (Pico) 漠 (ばく) 10-15 : f (Femto) 須臾 (しゅゆ) 10-18 : a (Atto) 刹那 (せつな) 10-21 : 清浄 (せいじょ
う)
![Page 9: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/9.jpg)
What is nanotechnology?
Nanometer scale control of materials which
requires to manipulate atoms and molecules.
1nm=10-9m
Size of atoms : a spread of electron cloud 0.1nm
structure control in atomic scale :
Top-down method 、 bottom-up method
![Page 10: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/10.jpg)
Expected effects for electrons in nanostructures
Quantum confinement effectCharge discreteness and strong
electron-electron Coulomb interaction effects
Tunneling effectsStrong electric field effectsBallistic transport effects
![Page 11: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/11.jpg)
Application fields of nanotechnology
![Page 12: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/12.jpg)
Miniaturization of electron devices
High integration High speed Low consumption electric power Low cost
Miniaturization by top-down method
![Page 13: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/13.jpg)
Application to electronic devices
L.L.Sohn, Nature 394(1998)131
Ge transistor LSI
Quantum corral
Carbon nanotube
Point contact
1950 1970 1980 2000
![Page 14: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/14.jpg)
M.Schulz, Nature 399(1999)729
Roadmap for Si MicroelectronicsMoor’s Low:
![Page 15: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/15.jpg)
Moor’s law and number of electrons per device
Moor’s Law:
Device size 2/3,
Chip size 1.5,
Integration 4-times
/ new chip ( 3 years )
![Page 16: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/16.jpg)
I-V Charactaristics of resonant-tunneling diodes
![Page 17: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/17.jpg)
Resonant tunneling diode
Profile through a three-dimensional resonant-tunneling diode.
Fermi sea of electrons
resonant tunneling
quasi-bound state
![Page 18: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/18.jpg)
GaAs/AlGaAs interface :
two-dimensional electron gasQuantum conductance
Quantum point contact
![Page 19: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/19.jpg)
Conductance of a quantum point contact
![Page 20: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/20.jpg)
STM images of electron flow close to a quantum point contact
Fk2
1
Fk・ Electrons are wave
with wave vector
・ Interference stripe
with
![Page 21: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/21.jpg)
[110] gold contact
TEM image
![Page 22: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/22.jpg)
Quantized conductance atomic switch (QCAS)
Nature, 433(’05)47
![Page 23: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/23.jpg)
Switching results of the QCAS
![Page 24: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/24.jpg)
Quantum conductance of QCAS
![Page 25: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/25.jpg)
Electron device using Coulomb blockade caused by electron-electron Coulomb interaction
Si single-electron CCD
SEM image
![Page 26: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/26.jpg)
Manipulation of elementary charge
![Page 27: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/27.jpg)
Sensing of a single hole
![Page 28: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/28.jpg)
Kondo corral
D.M.Eigler et al.PRL 86(2001)2392
Interference pattern of two-dimensional electron gas on Co/Cu(111)
Bottom-up method
STM image
![Page 29: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/29.jpg)
Molecualr abacus
STM image of molecules
![Page 30: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/30.jpg)
Quantum computer
Classical bit : 1 or 0
Quantum bit : superposition of 0 and 1
N qubit : express 2n states simultaneously
Examples of qubit : electron spin, nuclear spin
Computer which uses principles of “superposition” in quantum
mechanics
![Page 31: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/31.jpg)
Quantum computer by Kane’s model
Qubit: Nuclear spin of 31P in Si
STM image
![Page 32: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/32.jpg)
Controlled not gate qubit:superconducting Cooper pairs
T.Yamamoto et al. Nature 425 (2003)
SEM image
![Page 33: Computational Solid State Physics 計算物性学特論 Akiko Natori 名取 晃子 Purpose To understand fundamental solid state physics in nanostructures with computer simulation](https://reader036.vdocuments.mx/reader036/viewer/2022062314/56649e885503460f94b8d520/html5/thumbnails/33.jpg)
Spin coupling in a double-dots
TEM image
Qubit: electron spin in a dot