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Ab initio Calculation Tutorial : For Materials Analysis, Informatics and Design / / by Ryo Maezono
| Ab initio Calculation Tutorial : For Materials Analysis, Informatics and Design / / by Ryo Maezono |
| Autore | Maezono Ryo |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (285 pages) |
| Disciplina | 780 |
| Soggetto topico |
Density functionals
Materials science - Data processing Electronic structure Quantum chemistry - Computer programs Materials Chemistry Computer simulation Density Functional Theory Electronic Structure Calculations Computational Materials Science Computational Design Of Materials |
| ISBN | 9789819909193 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- Preparing tutorial environments -- Sequence of computational procedure -- Determining computational conditions -- Points to understand in background theories. . |
| Record Nr. | UNINA-9910726296303321 |
Maezono Ryo
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Electronic Structures and Bonding Interaction of Structurally Defined Gold/Silver Superatoms : Probed by Anion Photoelectron Spectroscopy / / by Shun Ito
| Electronic Structures and Bonding Interaction of Structurally Defined Gold/Silver Superatoms : Probed by Anion Photoelectron Spectroscopy / / by Shun Ito |
| Autore | Ito Shun |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (XIII, 112 p. 86 illus., 78 illus. in color.) |
| Disciplina | 541.2 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Nanochemistry
Spectrum analysis Density functionals Nanoparticles Spectroscopy Density Functional Theory |
| ISBN |
9789819628926
981962892X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1.Introduction -- Chapter 2.Experimental Setup of Anion Photoelectron Spectroscopy -- Chapter 3.Effect of Heterometal Doping on Electron Affinities of Eight Electron Superatoms -- Chapter 4.Effect of Ligand Substitution on Electron Affinities of Eight Electron Superatoms -- Chapter 5.Bonding Interaction in Homonuclear Superatomic Molecules -- Chapter 6.Bonding Interaction in Heteronuclear Superatomic Molecules -- Chapter 7.Summary and prospects. |
| Record Nr. | UNINA-9910987785903321 |
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Ito Shun
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Magnetoelectronic, Optical, and Thermoelectric Properties of Perovskite Materials / / by Rachid Masrour
| Magnetoelectronic, Optical, and Thermoelectric Properties of Perovskite Materials / / by Rachid Masrour |
| Autore | Masrour Rachid |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (128 pages) |
| Disciplina | 620.198 |
| Collana | SpringerBriefs in Materials |
| Soggetto topico |
Perovskite (Mineral)
Materials science - Data processing Materials - Analysis Density functionals Mathematical physics Computer simulation Perovskites Computational Materials Science Materials Characterization Technique Density Functional Theory Computational Physics and Simulations |
| ISBN |
9783031489679
3031489675 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Calculation methods: Monte Carlo Simulation and Ab Initio Calculations -- Magnetocaloric Effect, Electronic and Magnetic Properties in Manganite Perovskites -- Study of Magnetocaloric Effect, Electronic and Magnetic Properties of Ferrite Perovskites -- Magnetic and Magnetocaloric, Electronic, Magneto-optical, and Thermoelectric Properties of Perovskite Chromites -- Magnetic Properties and Magnetocaloric in Double Perovskite Oxides -- Magnetocaloric and Magnetic Properties of Bilayer Manganite -- Magnetocaloric Properties of Surface Effects in Perovskites Ferromagnetic Thin Films -- Effect of Magnetic Field on the Magnetocaloric and Magnetic Properties of Orthoferrites Perovskite. |
| Record Nr. | UNINA-9910767522103321 |
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Masrour Rachid
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Modelling Atomic Arrangements in Multicomponent Alloys : A Perturbative, First-Principles-Based Approach / / by Christopher D. Woodgate
| Modelling Atomic Arrangements in Multicomponent Alloys : A Perturbative, First-Principles-Based Approach / / by Christopher D. Woodgate |
| Autore | Woodgate Christopher D |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (217 pages) |
| Disciplina | 530.10285 |
| Collana | Springer Series in Materials Science |
| Soggetto topico |
Mathematical physics
Computer simulation Materials science - Data processing Metals Molecular dynamics Density functionals Computational Physics and Simulations Computational Materials Science Metals and Alloys Molecular Dynamics Density Functional Theory |
| ISBN | 3-031-62021-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- Statistical Physics of Multicomponent Alloys -- Electronic Structure Ab Initio -- Atomic Short-Range Order and Phase Stability of the Refractory High-Entropy Alloys -- Multiphase Behaviour in the Ti𝒙NbMoTaW and Ti𝒙VNbMoTaW High-Entropy Alloys -- Phase Stability of the Cantor-Wu Medium- and High-Entropy Alloys -- A Cautionary Tale: Treatment of the Magnetic State in the Cantor-Wu Alloys -- Compositional Order and Subsequent Magnetostriction in Fe1−𝒙Ga𝒙 (Galfenol) -- Summary, Conclusions, and Outlook. |
| Record Nr. | UNINA-9910879597603321 |
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Woodgate Christopher D
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Structure and Electronic Properties of Ultrathin In Films on Si(111) / / by Shigemi Terakawa
| Structure and Electronic Properties of Ultrathin In Films on Si(111) / / by Shigemi Terakawa |
| Autore | Terakawa Shigemi |
| Edizione | [1st ed. 2022.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 |
| Descrizione fisica | 1 online resource (83 pages) |
| Disciplina | 621.38171 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Surfaces (Technology)
Thin films Surfaces (Physics) Metals Materials - Analysis Chemistry, Inorganic Density functionals Surfaces, Interfaces and Thin Film Surface and Interface and Thin Film Metals and Alloys Characterization and Analytical Technique Inorganic Chemistry Density Functional Theory |
| ISBN |
9789811968723
9789811968716 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Introduction -- 2. Experimental methods -- 3. Structure and electronic properties of In single-layer metal on Si(111) -- 4. Structure and electronic properties of ultrathin (In, Mg) films on Si(111) -- 5. Summary. |
| Record Nr. | UNINA-9910629294203321 |
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Terakawa Shigemi
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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