First-Principles Prediction of Structures and Properties in Crystals / Dominik Kurzydlowski, Andreas Hermann |
Autore | Kurzydlowski Dominik |
Pubbl/distr/stampa | Basel, Switzerland : , : MDPI, , 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 |
9783039216710
3039216716 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910367750203321 |
Kurzydlowski Dominik
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Basel, Switzerland : , : MDPI, , 2019 | ||
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Lo trovi qui: Univ. Federico II | ||
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Recent Advances in Novel Materials for Future Spintronics / Rabah Khenata, Xiaotian Wang, Hong Chen |
Autore | Khenata Rabah |
Pubbl/distr/stampa | Basel, Switzerland : , : MDPI, , 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 |
9783038979777
3038979775 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910346839003321 |
Khenata Rabah
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Basel, Switzerland : , : MDPI, , 2019 | ||
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Lo trovi qui: Univ. Federico II | ||
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