Combined OPW-TB Method for the Band Calculation of Layer-Type Crystals. II. : The Band Structure of Graphite
スポンサーリンク
概要
- 論文の詳細を見る
The band calculations are made for graphite by the orthogonalized-plane-wave(OPW) representation in the parallel direction to the layer and by the tight-binding(TB) one in the normal direction. The calculated σ as well as π bands of a monolayer of graphite explain fairly. well the various structures observed in the imaginary part of dielectric constant. The band parameters of the Slonczewski-Weiss Hamiltonian, which describes the Fermi surface of three-dimensional graphite, are calculated by this method, but they are found not in good agreement with those determined by experiments. The spin-orbit coupling constant is also calculated by this method, and the negative value is obtained.
- 社団法人日本物理学会の論文
- 1973-08-05
著者
-
Natori Kenji
Department Of Physics Faculty Of Science University Of Tokyo
-
NAKAO Kenji
Department of Electronic Engineering, Faculty of Engineering, Osaka University
-
TSUKADA Masaru
Department of Physics, Faculty of Science, University of Tokyo
-
Uemura Yasutada
Department Of Physics Faculty Of Science University Of Tokyo
-
Uemura Yasutada
Department Of Dynamics Faculty Of Engineering Tokyo University
-
Tsukada Masaru
Department Of Nano-science And Nano-technology Advanced School Of Science And Engineering Waseda Uni
-
NAGAYOSHI Hideo
Department of Material Physics,Faculty of Engneering Science,Osaka University
-
Nagayoshi Hideo
Department Of Physics Faculty Of Science University Of Tokyo:(present Address) General Education Dep
-
Nagayoshi Hideo
Department Of Material Physics Faculty Of Engineering Science Osaka University
-
Tsukada Masaru
Department of Nano-Science and Nano-Engineering, Waseda University, 513 Waseda Tsurumaki-cho, Shinjuku-ku, Tokyo 162-0041, Japan
関連論文
- Dynamics and Pressure Effect of the Helix in Ferroelectric Liquid Crystal with Small Pitch : L: LIQUID CRYSTALS
- Influence of Electric Field and Cell Thickness on Dielectric Behaviour of Ferroelectric Liquid Crystal at Phase Transition : L: Liquid Crystals
- Characteristic of Dielectric Behaviour of Ferroelectric Liquid Crystal at Smectic-A and Chiral Smectic-C Phase Transition
- Theory of Microscopic Mechanism and Related Exotic Phenomena of Scanning Tunneling Microscopy
- Theory of Scanning Tunneling Microscopy/Spectroscopy for Adsorbed Surfaces and Layer Crystal Surfaces
- Performance Analysis of a Three-Channel Control Architecture for Bilateral Teleoperation with Time Delay
- Theory of Impurity Bands in Magnetic Fields. : II. Transport Properties
- Theory of Impurity Bands in Magnetic Fields. : I. Magnetic Susceptibility
- Reversal of Spontaneous Polarization Direction in Ferroelectric Liquid Crystal with Temperature : L: Liquid Crystals
- Band Structures of Periodic Carbon Nanotube Junctions and Their Symmetries Analyzed by the Effective Mass Approximation
- First Principles Study of the Effect of Tip Shape on Scanning Tunneling Microscopy Images
- Ballistic Transport in Artificial Nano-Circuits
- Ca^ transport activity of scallop divalent metal transporter at the concentration of seawater level
- Crystal Structure and Magnetic Properties of an Organic Ion-Radical Salt : 1,3'-Diethyl-2,2'-Quinoselenacyanine-[TCNQ]_2
- Crystal Structure and Electronic Properties of an Organic Ion-Radical Salt : 3,3' -Diethyl-4,4'-Dimethyl-2,2' -Thiazolocyanine-[TCNQ]_2
- Numerical Simulation of the Single Electron Tunneling Processes in the Scanning Tunneling Spectroscopy through Metal Fine Particle
- Novel Doping Effect of Conducting Polymer Gel
- Model Potential for the Dimer System on the Si(001) Surface Improved by a First-Principles Calculation and Structural Fluctuation Studied by a Monte Carlo Simulation(Condensed Matter : Structure, Mechanical and Thermal Properties)
- Model Potential for the Dimer System on the Si(001) Surface Improved by a First-Principles Calculation and Structural Fluctuation Studied by a Monte Carlo Simulation
- Angular Dependence of Transient Light Scattering in Ferroelectric Liquid Crystal : L: LIQUID CRYSTALS
- Conductance through Atoms: Dot or Channel
- Time-Fluctuation of the Dimer Structure on a Ge(001) Surface Studied by a Monte Carlo Simulation and a First-Principles Calculation
- Theory of Electronic Processes of Scanning Tunneling Microscopy
- Theory of Cyclotron Resonance in Graphite. II. : The Effect of the Sparial Dispersion
- Theory of Cyclotron Resonance of Graphite. I. : Determination of the Degree of Band Warping
- The Acceptor States in Tellurium
- Variational Calculation of Acceptor States in Tellurium
- Theory of Atomic-Force Microscopy(STM Theory)
- Numerical Method for Local Density of States and Current Density Decomposed into Eigenchannels in Multichannel System
- Combined OPW-TB Method for the Band Calculation of Layer-Type Crystals. II. : The Band Structure of Graphite
- Combined OPW-TB Method for the Band Calculation of Layer-Type Crystals. I. : General Formalism and Application to the π Band of Graphite
- Anisotropic Characteristics of Drawn Poly(3-alkylthiophene) Gel
- Effect of Hydrostatic Pressure on the Absorption Spectrum of Poly(3-alkylthiophene) Solution
- Theory of Quantum Conductance of Atomic and Molecular Bridges
- Theoretical Analysis of Tip Effect on Noncontact Atomic Force Microscopy Image of Si(100) 2×1 : H Surface(Surfaces, Interfaces, and Films)
- Transverse Magneto-Conductivity of a Two-Dimensional Electron Gas
- Large Loop Current Induced Inside the Molecular Bridge
- Theory of Oscillatory g Factor in an MOS Inversion Layer under Strong Magnetic Fields
- Theory of Atomic and Electronic Processes Induced by the Tip of SPM
- Finite Element Approach for Simulating Quantum Electron Dynamics in a Magnetic Field : Condensed Matter: Electronic Properties, etc.
- Theory of Hall Effect in a Two-Dimensional Electron System
- On the Tail States of the Landau Subbands in MOS Structures under Strong Magnetic Field
- Interpretation of Frictiomal-Force Microscopy Images Based on the Two-Dimensional Stick-Slip Motion of the Tip Atom
- Molecular Orbital Theory of Field Evaporation
- Theoretical Simulation of Atomic Force Microscope Based on Cluster Models
- The Relation between Resonance Curves and Tip-Surface Interaction Potential in Noncontact Atomic-Force Microscopy
- Theory of Non-Adiabatic Processes of Adsorbates
- New Method for Noncontact Atomic Force Microscopy Image Simulations
- Microscopic Theory of a Critical Temperature of Superconducting Superlattices
- Large-Scale Electronic-Structure Calculations Based on the Adaptive Finite-Element Method
- On the Electronic Structure of the Polar Surface of Compound Crystals
- Cantilever dynamics beyond the steady state approximation
- Effect of Microscopic Nonconservative Process on Noncontact Atomic Force Microscopy
- A Tight-Binding Study of Chemical Interaction of Nanotube Tip with Si(001) Surface : Condensed Matter: Electronic Properties, etc.
- Simulated Noncontact Atomic Force Microscopy Images of Si(001)Surface with Silicon Tip
- Fourier Expansion Method for Noncontact Atomic Force Microscopy Image Simulations : Application to Si(111)√ × √-Ag Surface
- Dihydrides Accelerate Vibrational Relaxation on Si(001)/H Surfaces
- Self-Consistent Calculation of the Band Structure of C_8K Including the Charge Transfer Effect
- The First Principle Calculation of the Energy Band of Potassium Graphite Intercalation compound C_8K(Superconductivity・Intercalation)
- Electronic Band Structure of Superlattices in Magnetic Fields
- Electronic Band Structure of Superlattices in Magnetic Fields(Phase Transition・Charge Density Wave)
- First-Principles Theory of Electronic States under Strong Field and Current and Its Application to Scanning Tunneling Microscopy
- Theory of Electronic Properties in N-Channel Inversion Layers on Narrow-Gap Semiconductors : I. Subband Structure of InSb
- Theory of Color Centers in Ionic Crystals. I. : Electronic States of F-Centers in Alkali Halides.
- Band Theory of Graphite. : I. Formalism of a New Method of Calculation and the Fermi Surface of Graphite
- Near Infrared Reflectivity of Graphite under Hydrostatic Pressure. II. Theoretical Foundation of Lineshape Analysis
- 23pW-5 Concepts and Applications of Noncontact Dissipation Force Microscopy
- Screening Effect in a Disordered Electron System. : II. Application to the Impurity Band
- Theoretical Prescriptions for Improving Conductances of Short DNA Segments Sandwiched between Metal Electrodes
- Fast and Stable Method for Simulating Quantum Electron Dynamics
- The Valence Band Structure of Tellurium. : III. The Landau Levels
- The Valence Band Structure of Tellurium. II. : The Infrared Absorption
- The Valence Band Structure of Tellurium. : I. The k・p Perturbation Method
- On the Electronic Structures of the M-Centers in Alkali-halide Crystals.
- Theory of Color Centers in Ionic Crystals. II. : The Temperature dependence of F-bands in Alkali Halides.
- Electrical Resistivity due to Electron-Electron Scattering in Quasi-One-Dimensional Metals
- Electronic Structures of the U_2-Center in KCl and KBr : II -The Effect of the Configuration Mixing-
- Structure and Reactivity of Pure and Hydrogenated C_ by the First-Principles Density Functional Calculation
- Subband Structures of N-Channel Inversion Layers on III-V Compounds : A Possibility of the Gate Controlled Gunn Effect
- Dielectric Function of Graphite Due to Interband Transitions of π-Electrons
- Hartree Approximation for the Electronic Structure of a p-Channel Inversion Layer of Silicon M.O.S. (Selected Topics in Semiconductor Physics) -- (Surface)
- Theoretical Study of Crystal Structures and Energy Bands of Polyacene and Pentacene Derivatives(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- Hot Electron Effects in Landau Levels of MOS Inversion Layers
- Morphology in the Optical Spectra of the Anisotropic Crystals
- The Change of Carrier Concentration in the Simple Semiconductors with Static Magnetic Field
- Electronic Structure of Potassium-Graphite Intercalation Compound:C_8K
- The Change of Carrier Concentration in the Graphite with Static Magnetic Field
- On the Electronic Structure of the U_2-center in KCl Crystals, I.
- Theory of Valley Splitting in an N-Channel (100) Inversion Layer of Si. : I. Electric Break Through
- The Calculation of the Piezoabsorption of Graphite in Ultraviolet Region
- Analysis of Cyclotron Absorption in Lead Telluride
- Screening Effects in a Disordered Electron System : I. General Consideration of Dielectric Function
- Theory of Quantum Transport in a Two-Dimensional Electron System under Magnetic Fields. : I. Characteristics of Level Broadening and Transpot under Strong Fields
- Effects of Spatial Dispersion on the Wave Propagation in the Magnetoplasma of Semimetals
- Effects of H-H Interactions on Vibrational Spectra of Si(001)/H Surfaces
- Band Theory of the Optical Activity of Crystals
- A Quantum Theory of Atomic Diffusion in a Model Crystal
- Simulation of Noncontact Atomic Force Microscopy of Hydrogen- and Methyl-Terminated Si(001) Surfaces
- Landau Level Structure and Magnetic Breakthrough in Graphite
- Theory of Valley Splitting in an N-Channel (100) Inversion Layer of Si. : III. Enhancement of Splittings by Many-Body Effects