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First-Principles Prediction of Structures and Properties in Crystals
| First-Principles Prediction of Structures and Properties in Crystals |
| Autore | Kurzydlowski Dominik |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (128 p.) |
| Soggetto non controllato |
ab initio
magnetic Lennard-Jones superconductivity global optimisation electrical engineering first-principles semiconductors refractory metals genetic algorithm DFT crystal structure prediction electronic structure indium arsenide van der Waals corrections charged defects Ir-based intermetallics point defects electronic properties learning algorithms half-Heusler alloy molecular crystals chlorine optical properties ab initio calculations magnetic properties structure prediction thermoelectricity high-pressure density functional theory magnetic materials structural fingerprint crystal structure semihard materials silver formation energy Heusler alloy battery materials elastic properties |
| ISBN | 3-03921-671-6 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910367750203321 |
Kurzydlowski Dominik
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Recent Advances in Novel Materials for Future Spintronics
| Recent Advances in Novel Materials for Future Spintronics |
| Autore | Wang Xiaotian |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (152 p.) |
| Soggetto non controllato |
doping
spin polarization first-principle quaternary Heusler alloy electronic structure Prussian blue analogue first-principles calculations first-principles calculation magnetic anisotropy pressure Nb (100) surface Dzyaloshinskii-Moriya interaction optical properties skyrmion equiatomic quaternary Heusler compounds Heusler alloy interface structure first principles magnetism spin transport first-principles method monolayer CrSi2 half-metallic material H adsorption half-metallic materials lattice dynamics spin gapless semiconductor first-principle calculations half-metallicity bulk CrSi2 covalent hybridization H diffusion electronic property MgBi2O6 physical nature Mo doping phase stability mechanical anisotropy quaternary Heusler compound magnetic properties exchange energy |
| ISBN | 3-03897-977-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346839003321 |
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Wang Xiaotian
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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