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Local electronic and atomic structure of Ce[3+]-containing fluoride/oxide determined by TEM-EELS and first-principles calculations (Special issue on Nano-Materials Science for Atomic Scale Modification)

Local electronic and atomic structure of Ce[3+]-containing fluoride/oxide determined by TEM-EELS and first-principles calculations (Special issue on Nano-Materials Science for Atomic Scale Modification)
紙デジタル記事
Ikuo Nishida, Kazuyoshi Tatsumi, Shunsuke Muto<Z53-J286>Materials transactions50(5) 2009.5p.952～958
国立国会図書館全国の図書館
  • 要約等We investigated the local atomic and electronic structure around Ce in C......loss near edge structures (ELNES) and f......rst-principles calculations. The energy wi...... the main edge structure depended on th......the electronic structures of density fu......l theory (DFT) calculations with Hubbard <I>U</I> for the...
  • 参照...ds The crystal structure of A-Ce2O3 Ext......nal Xα cluster calculations I. application to metal clust...

Conduction-band structures of wurtzite ZnO solid solutions by first principles calculations (Special issue on Nano-Materials Science for Atomic Scale Modification)

Conduction-band structures of wurtzite ZnO solid solutions by first principles calculations (Special issue on Nano-Materials Science for Atomic Scale Modification)
紙デジタル記事
Z. J. Wang, I. Tanaka<Z53-J286>Materials transactions50(5) 2009.5p.1067～1070
インターネットで読める国立国会図書館全国の図書館
  • 要約等... with wurtzite structures are systemati......rst principles calculations with special i......and electronic structures on the alloy structure. Alloying ZnO ......avorable alloy structures. On the other......es of wurtzite structures is positive for Zn<SUB>1−<I>...
  • 参照...ble electronic structures for organic photovoltaic cel...
  • 参照...rst principles calculations of the ground-......gxZn1−xO alloy Atomic displacement, ......als Electronic structure and phase stab......ps of wurtzite structure A<sub><i>x</i>......g) LDA and GGA calculations for high-press......th> Control of structure, conduction be......i>total-energy calculations using a plane-......rst-principles calculations of the optical band-gaps of Z...

Atomic and Electronic Structures of Hydrated Polymolybdates by First Principles Calculations (Special Issue on Grain Boundaries, Interfaces, Defects and Localized Quantum Structures in Ceramics)

Atomic and Electronic Structures of Hydrated Polymolybdates by First Principles Calculations (Special Issue on Grain Boundaries, Interfaces, Defects and Localized Quantum Structures in Ceramics)
紙デジタル記事
A. Togo, I. Tanaka, K. Murase 他<Z53-J286>Materials transactions45(7) 2004.7p.1982～1986
国立国会図書館全国の図書館
  • 要約等First principles calculations of hydrated po......n made with an atomic orbital basis ......a low symmetry structure, which agrees ......bsorption fine structure of the hydrate...... high symmetry structure. Inspection of the electronic...
  • 参照...ity functional calculations of molecular e......tional for polyatomic molecules COSMO: a new approa...

Ferroelectric perovskites for high-speed memory : a mechanism revealed by quantum bonding motion

Ferroelectric perovskites for high-speed memory : a mechanism revealed by quantum bonding motion
紙図書
Taku OnishiSpringer[2022]<ND416-D43>
国立国会図書館全国の図書館
  • 内容細目...pplication and structure 3. Memory : world of binary c...

Atomic-scale investigation on the Ti/Fe(001) interface structure: molecular dynamics simulations and Ab initio calculations (Special issue: Nano electronic materials)

Atomic-scale investigation on the Ti/Fe(001) interface structure: molecular dynamics simulations and Ab initio calculations (Special issue: Nano electronic materials)
紙記事
Heechae Choi, Geunsup Yoon, Yong-Chae Chung<Z53-A375>Japanese journal of applied physics : JJAP50(1) (3) 2011.1p.01BE07-1～4
国立国会図書館全国の図書館

Analysis of atomic and electronic structures of Cu2ZnSnS4 based on first-principle calculation

Analysis of atomic and electronic structures of Cu2ZnSnS4 based on first-principle calculation
デジタル記事
Masaya Ichimura, Yuki Nakashima<Z53-A375>Japanese journal of applied physics : JJAP48(9) (1) 2009.9p.090202-1～3
インターネットで読める国立国会図書館全国の図書館
  • 参照...lectronic band structure of Cu2ZnSnX4 (X=S and Se) pho...

Atomic and electronic structure investigation and luminescence property of Eu[2+]-doped β-SiAION green phosphor: Ab initio calculations (Special issue: Microprocesses and nanotechnology)

Atomic and electronic structure investigation and luminescence property of Eu[2+]-doped β-SiAION green phosphor: Ab initio calculations (Special issue: Microprocesses and nanotechnology)
デジタル記事
Dong Su Yoo, Jeong Ho Ryu, Hong-Lae Park 他<Z53-A375>Japanese journal of applied physics : JJAP49(6) (2) 2010.6p.06GJ07-1～4
インターネットで読める国立国会図書館全国の図書館
  • 参照Accurate Electronic Structures of Eu-Doped SiAlON Green Pho...
  • 参照...and electronic structures, luminescence properties of ...

Local atomic configuration of dislocation-accumulated grain boundary and energetics of gradual transition from low angle to high angle grain boundary in pure aluminum by first-principles calculations (Special issue on severe plastic deformation for production of ultrafine structures and unusual mechanical properties: aiming breakthrough in materials development)

Local atomic configuration of dislocation-accumulated grain boundary and energetics of gradual transition from low angle to high angle grain boundary in pure aluminum by first-principles calculations (Special issue on severe plastic deformation for production of ultrafine structures and unusual mechanical properties: aiming breakthrough in materials development)
紙デジタル記事
Masato Yoshiya, Hiroki Yoshizu<Z53-J286>Materials transactions51(1) 2010.1p.51～57
国立国会図書館全国の図書館
  • 要約等...terms of local atomic coordinates in......rst-principles calculations. Detailed nume......ergy and local atomic configuration ......ks. Systematic calculations for grain boundary with misor...
  • 参照Microstructures and mechanica......gation of microstructure and grain-boun...... annealed microstructures in ARB proces......lloys Bulk nanostructured materials fro......periments? Nanostructure formation by m......i>total-energy calculations using a plane-......5 (1996)] Interatomic potentials for monoatomic metals from ex......i>ab initio</i>calculations Calculation of......rain size Microstructure control using ......rmation in Nanostructured Metals Microstructure Evolution in Pure Al Processe...

First-principles calculations of M10/grapheme (M = Au, Pt) systems: atomic structures and hydrogen adsorption (Special issue on advances in computational materials science and engineering (5))

First-principles calculations of M10/grapheme (M = Au, Pt) systems: atomic structures and hydrogen adsorption (Special issue on advances in computational materials science and engineering (5))
紙デジタル記事
Kazuyuki Okazaki-Maeda, T. Akita, S. Tanaka 他<Z53-J286>Materials transactions49(11) 2008.11p.2441～2444
国立国会図書館全国の図書館
  • 要約等...rst-principles calculations of a Au<SUB>10</SUB> cluster ...
  • 参照...for plane-wave calculations Active Nonmeta......ity-functional calculations of atomic and molecular ......ity-functional calculations of icosahedral M13 (M=Pt and ...

The 64th CerSJ Awards for Advancements in Ceramic Science and Technology: Study on atomic and electronic structures of ceramic materials using spectroscopy, microscopy, and first principles calculation

The 64th CerSJ Awards for Advancements in Ceramic Science and Technology: Study on atomic and electronic structures of ceramic materials using spectroscopy, microscopy, and first principles calculation
紙デジタル記事
Teruyasu Mizoguchi<Z78-A504>Journal of the Ceramic Society of Japan = 日本セラミックス協会学術論文誌119(1389) 2011.5p.325～333
国立国会図書館全国の図書館
  • 要約等...EEL) near edge structures (ELNES) and X......tion near edge structures (XANES), and 2) atomic and electronic structure analysis of ce......the electronic structure is achieved. I......nships between atomic structure and defect ene......rst principles calculations, atomic scale visualization of fluori...
  • 件名Structure-property relationships EELS/X...
  • 参照...rst-principles calculations

Electronic structure of yttrium and carbon atoms encapsulated metallofullerenes, Y2C2@C82: ultraviolet photoelectron spectroscopy and theoretical calculation

Electronic structure of yttrium and carbon atoms encapsulated metallofullerenes, Y2C2@C82: ultraviolet photoelectron spectroscopy and theoretical calculation
紙記事
Shojun Hino, Takafumi Miyazaki, Yusuke Aoki 他<Z53-B35>Bulletin of the Chemical Society of Japan82(8) 2009p.963～967
国立国会図書館全国の図書館

Atomic structure of faceted Σ3 CSL grain boundary in silicon: HRTEM and ab-initio calculation (Special issue on advances in electron microscopy for materials characterization)

Atomic structure of faceted Σ3 CSL grain boundary in silicon: HRTEM and ab-initio calculation (Special issue on advances in electron microscopy for materials characterization)
紙デジタル記事
Norihito Sakaguchi, Hideki Ichinose, Seiichi Watanabe<Z53-J286>Materials transactions48(10) 2007.10p.2585～2589
国立国会図書館全国の図書館
  • 要約等...ch differed in atomic structure. The segment n......owed symmetric structure and the other ......wed asymmetric structure. It was shown ......the asymmetric structure is more stable......h elevated the structure energy of the boundary and pr...
  • 件名...grain boundary atomic structure electronic structure high-resolution electron micr...
  • 参照Structure and lattice thermal conductiv...

Defects in functional materials

Defects in functional materials
紙図書
editors Francis Chi-chung Ling, Shengqiang Zhou, Andrej KuznetsovWorld Scientific Publishing Co. Pte. Ltd.[2021]<M213-D57>
国立国会図書館全国の図書館
  • 内容細目...STM and STS 3. Atomic Defects in 2D ...... Stacking-band structure diversity in b......1. Theoretical calculations 2.2. Effects a......1. Theoretical calculations 3.2. Effects a...... Tight-binding calculations 2.2. DFT-LDA calculations 2.3. Beyond-LDA results 3. Im...

Extended Atomic Structure Calculations for W11+ and W13+

Extended Atomic Structure Calculations for W11+ and W13+
デジタル記事
2020-12-07Atoms8 4p.92-
全国の図書館
  • 要約等...tical study of atomic properties for......using Flexible Atomic Code (FAC). Ex......4 and 500 fine structure levels are presented respecti...
  • 件名Condensed Matter Physics Nuclear and High Energy Physics Atomic and Molecular Physics, and Op...

Breit and QED contributions in atomic structure calculations of tungsten ions

Breit and QED contributions in atomic structure calculations of tungsten ions
デジタル記事
2020-02Journal of Quantitative Spectroscopy and Radiative Transfer242p.106772-
全国の図書館
  • 件名Spectroscopy Atomic and Molecular Physics, and Op...
  • 参照Hyperfine-structure-resolved laser spectroscopy o...

ambit: A programme for high-precision relativistic atomic structure calculations

ambit: A programme for high-precision relativistic atomic structure calculations
デジタル記事
2019-05Computer Physics Communications238p.232-243
全国の図書館
  • 参照... for molecular calculations Search for a V......on of the Fine Structure Constant aroun......nter Hyperfine-structure-resolved laser spectroscopy o...

Surface physics : theoretical models and experimental methods

Surface physics : theoretical models and experimental methods
紙図書
Marina V. Mamonova, Vladimir V. Prudnikov and Irina A. Prudnikova.CRC Press[2014]<MC141-B137>
国立国会図書館
  • 内容細目...wo-dimensional structures 1.5.4.Phase t......r studying the atomic structure 2.1.2.Diffraction of fast ele...

Spin Polarized Atomic Structure Calculations for 3d-Transition Atoms

Spin Polarized Atomic Structure Calculations for 3d-Transition Atoms
紙記事
Akira Narita, Hideo Kobayashi<Z22-34>秋田工業高等専門学校研究紀要 / 秋田工業高等専門学校 編(通号 31) 1996.02p.114～122
国立国会図書館全国の図書館

General, organic, and biochemistry / Katherine J. Denniston, Joseph J. Topping, Robert L. Caret. 7th ed.

General, organic, and biochemistry / Katherine J. Denniston, Joseph J. Topping, Robert L. Caret. 7th ed.
紙図書
McGraw Hillc2011.<PA312-B17>
国立国会図書館
  • 内容細目...easurement The structure of the atom an......periodic table Structure and properties......lent compounds Calculations and the chemic......ystems Protein structure and function Enzymes Introduc...

Analytical ultracentrifugation First edition. (Methods in enzymology ; volume 562)

Analytical ultracentrifugation First edition. (Methods in enzymology ; volume 562)
紙図書
edited by James L. Cole.Academic Press2015.<RA84-B148>
国立国会図書館
  • 内容細目...ication in AUC Calculations and publicatio......ata Quaternary structure analyses of an......f G-quadraplex structures Analytical ul......rifugation and atomic force microscopy Sedimentatio...