Theoretical Study of the Low-Temperature c(2×2)Structure of Li Adsorbed Cu(001)Surface
スポンサーリンク
概要
- 論文の詳細を見る
The c(2X2) structtnre observed for Li-atorn adsorbed Ctn (001) surface at a low ternperattrreis studied based on first-principles electronic structtrre calctrlations. Structttral optimization iscarried otut with an LAPW atomic force method. Several nuznerical checks are done for better-known clean Cu (001) surfaces. Calctrlated total energies as xvell as vibration freqtrencies stronglysupport hollow-site adsorption in this systetn. Chemical bond f'orrnation is found between Li andCu surface atoms, resulting a dipole polarization around Li. Ruztapling relaxation found in atop-site adsorption rnay be a clue for understanding of stable atop configuration observed in Csadsorption on Cu (111).
- 社団法人日本物理学会の論文
- 1997-09-15
著者
-
OGUCHI Tamio
Department of Quantum Matter, ADSM, Hiroshima University
-
Oguchi Tamio
Department Of Engineering Physics The University Of Electro-communications
-
Hamada Noriaki
Department Of Physics Faculty Of Science And Technology Science University Of Tokyo
-
Hamada Noriaki
Department Of Physics Tokyo University Of Science
-
Hamada Noriaki
Department Of Condensed Matter Physics The Institute Of Scientific And Industrial Research Osaka Uni
-
Oguchi Tamio
Department Of Materials Science Hiroshima University
関連論文
- Electronic properties of Y2C3 by first-principles calculations
- Electronic Band Structure and Structural Properties of Zircon Nitride Chloride(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- First-Principles Calculation of Spontaneous Polarization and Phase Stability in NaNO_2
- High Resolution 4d-4f Resonance Photoemission Spectroscopy of CePdX (X=As,Sb)
- Holes in the Valence Band of Superconducting Boron-Doped Diamond Film Studied by Soft X-ray Absorption and Emission Spectroscopy(Condensed matter : electronic structure and electrical, magnetic, and optical properties)
- Electronic Structure of B-2p State in AlB_2 Single Crystal : Direct Observation of pσ and pπ Density of States
- Electronic Band Structures of I-III-VI_2 Compounds : CHALCOPYRITES : ELECTRICAL AND OPTICAL PROPERTIES
- Polarization Performance of a New Spectrometer Based on a Multilayer-Coated Laminar Grating in the 150-190-eV Region
- MEM Charge Density Analysis of Orbital-Ordering of Nd_Sr_MnO_3(Condensed Matter : Structure, Mechanical and Thermal Properties)
- Superconducting Gap and Valence Band of Mg_Ir_B_ Studied by Laser and Synchrotron Photoemission Spectroscopy(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- Local Environment Effect on the Atomic Magnetic Moment in Ferromagnetic Transition-Metal Alloys. I.
- Theoretical Study of the Exchange Interaction and the Exchange Force between Fe Films : Feasibility of Exchange Force Microscopy
- Electronic Band Structure of SrCuO_2
- Soft X-ray Core-Level Photoemission Study of Boron Sites in Heavily Boron-Doped Diamond Films(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- Electronic Structure in High Temperature Phase of Fe_3O_4
- First-Principles Studies of Antiferromagnetic MnO and NiO Surfaces
- Electronic Structure of RbMnFe (CN)_6 : Ground State (Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Theoretical Study of the Low-Temperature c(2×2)Structure of Li Adsorbed Cu(001)Surface
- Electronic Band Structure of the Pyrochlore Ruthenium Oxides A_2Ru_2O_7(A=Bi, Tl and Y) : Condensed Matter: Electronic Properties, etc.
- Electronic Band Structure and Gap Formation in CeRhAs
- First-Principles Study on Structural Stability of Alkali and Alkali-Earth Coadsorbed on Cu(001) Surface
- Theoretical Study of c(2×2) Structure in Li/Al(001) System : Condensed Matter: Electronic Properties, etc.
- Spin-Orbit Effects on the Ru-d Orbital Hybridization and Fermi Surface in Ca_Sr_xRuO_4
- Empirical LSDA+U Study for Electronic Structure of Hexagonal NiS : Condensed Matter: Electronic Properties, etc.
- Electronic and Thermoelectric Properties of the Intermetallic Compounds MNiSn (M = Ti, Zr, and Hf)(Condensed matter : electronic structure and electrical, magnetic, and optical properties)
- Electronic Band Structure and Gap Formation in CeRhAs(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Calculation of Local Environment Effects in Ferromagnetic Transition-Metal Alloys with Atomic Short-Range Order : Method and Application to Fe-V
- First-Principles Investigation of Magneto-Optical Kerr Effect of Metallic Mutilayers
- Cohesion in AlB_2-Type Diborides : A First-Principles Study
- Stability of Alkali-Metal Adsorption on fcc-Metal Surfaces : Cu(001)-(2×1)-Li and Al(001)-c(2×2)-Na
- First-Principles Studies of Antiferromagnetic MnO and NiO Surfaces
- Band Structures of Wurtzite InN and Ga1-xInxN by All-Electron $GW$ Calculation
- First-Principles Study of Lead-Free Piezoelectric SnTiO3
- Comparisons of Piezoelectricities of Lead Zirconate Titanate for Various Phases by a First-Principles Method
- Stress Formulation in the All-Electron Full-Potential Linearized Augmented Plane Wave Method
- Doping Variation of Optical Properties in ZrNCl Superconductors
- First-Principles Predictions of Giant Electric Polarization
- Theoretical Investigation of the Crystal Structure and Electronic and Dielectric Properties of the Potential Multiferroic (C2H5NH3)2FeCl4
- Local Environment Effect on the Atomic Magnetic Moment in Ferromagnetic Transition-Metal Alloys. II. High-Field Susceptibility
- Systematic Analysis of ARPES Spectra of Transition-Metal Oxides: Nature of Effective $d$ Band
- MEM Charge Density Analysis of Orbital-Ordering of Nd_Sr_MnO_3(Condensed Matter : Structure, Mechanical and Thermal Properties)
- First-Principles Predictions of Giant Electric Polarization