Magic Numbers of Multivacancy in Crystalline Si:Tight-Binding Studies for the Stability of the Multivacancy
スポンサーリンク
概要
- 論文の詳細を見る
We perforun microscopic total-eraergy calctrlations based on a transferable tight-binding modelcombined xvith conjugate-gradient raainiunization technique for various zntrltivacancies V. in 81.We find that stable natrltivacarucies (magic nurnbers of negative 81 clusters) are V5, VIO, V14, V17,V22, V26 and V35. We also find that both topological networks of vacant sites and relaxation ofsurrotrnding atotaas are crtrcial to deternaine energetics of the untrltivacancies,
- 社団法人日本物理学会の論文
- 1998-12-15
著者
-
Akiyama T
Univ. Tsukuba Tsukuba
-
Akiyama Toru
Institute Of Physics University Of Tsukuba
-
Sugino O
Fundamental Research Laboratories Nec Corporation
-
Sugino Osamu
Nec Fundamental Research Laboratories
-
Sugino Osamu
Institute Of Applied Physics The University Of Tsukuba
-
Sugino Osamu
Fundamental Research Laboratories Nec Corporation
-
OSHIYAMA Atsushi
Institute of Physics, University of Tsukuba
-
Oshiyama Atsushi
Institute Of Physics University Of Tsukuba
関連論文
- Far Infrared Optical Properties of Amorphous As-Se System
- Multivacancy and Its Hydrogen Decoration in Crystalline Si
- Electrode Dynamics from First Principles(Cross-disciplinary physics and related areas of science and technology)
- Magic Numbers of Multivacancy in Crystalline Si:Tight-Binding Studies for the Stability of the Multivacancy
- First-Principles Calculations on Mg Impurity and Mg-H Complex in GaN
- Pressure and Orientation Effects on the Electronic Structure of Carbon Nanotube Bundles
- First-Principles Study of Hydrogen Incorporation in Multivacancy in Silicon : Condensed Matter: Electronic Properties, etc.
- Change in the Resistivity of bcc and bct FeRh Alloys at First-Order Magnetic Phase Transitions
- First Principles Study of Atomic-Scale Al_2O_3 Films as Insulators for Magnetic Tunnel Junctions
- Nanometer-Scale Ferromagnet : Carbon Nanotubes with Finite Length
- Ferromagnetic Electronic Structures of Ga Wires on Si(001) Surfaces
- Hole-Injection-Induced Structural Transformation of Oxygen Vacancy in α-Quartz
- Electronic Structures of Polyglycine and Active Sites of Cytochrome c Oxidase(Cross-disciplinary Physics and Related Areas of Science and Technology)
- Atomic and Electronic Structures of Deformed Graphite Sheets
- Nanometer-Scale Ferromagnet : Carbon Nanotubes with Finite Length
- Band Structures of Wurtzite InN and Ga1-xInxN by All-Electron $GW$ Calculation
- Open Edge Growth Mechanisms of Single Wall Carbon Nanotubes
- Phase Transition of TiSi_2 under Interfacial Stresses
- First Principles Study of Dihydride Chains on H-Terminated Si(100)-$2{\times}1$ Surface
- First-Principles Study of the Step Oxidation at Vicinal Si(001) Surfaces
- Open Edge Growth Mechanisms of Single Wall Carbon Nanotubes