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First-Principles Prediction of Structures and Properties in Crystals / Dominik Kurzydlowski, Andreas Hermann
| First-Principles Prediction of Structures and Properties in Crystals / Dominik Kurzydlowski, Andreas Hermann |
| Autore | Kurzydlowski Dominik |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (128 p.) |
| Soggetto topico | Chemistry |
| 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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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Modularity and Twinning in Mineral Crystal Structures
| Modularity and Twinning in Mineral Crystal Structures |
| Autore | Ferraris Giovanni |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (90 p.) |
| Soggetto topico |
Earth sciences, geography, environment, planning
Research & information: general |
| Soggetto non controllato |
aluminophosphates
anorthite antiferromagnets argyrodite-type compounds borophosphates c-type reflections calcite chemical ordering DFT electron diffraction emerging properties frustrated magnets glendonite heteropolyhedral framework hydrothermal synthesis kagomé lattice layered silicates luminescence properties minerals modular approach modular structures modularity n/a OD structures OD theory order-disorder approach ordering Pamierite perovskite piezoelectricity in minerals polymorphism polysomes (series) polytypism RE-silicate-germanate spryite structure prediction superstructure surface relaxations synthetic analogues of minerals TEM tennantite tetrahedral framework tetrahedrite topology topology-symmetry analysis transition metal phosphates twin boundary twin wall twinning ultra-low temperature wollastonite chain X-ray diffraction |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557527903321 |
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Ferraris Giovanni
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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