H2020Индивидуална стипендия2017–2019

SuperSpinHyMol · Modelling superconductivity and spin-related effects in hybrid molecular/two-dimensional materials

„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“

Период: 2017-10-01 → 2019-09-30
Финансиране от ЕС: 159 461 €
Участници: 1
Схема: MSCA-IF-EF-ST

Линиите свързват координатора с партньорите.

Накратко на български

Хибридни наноматериали, съчетаващи магнитни молекули и свръхпроводящи слоеве, се анализират чрез компютърно моделиране. Това помага за по-доброто разбиране и контрол на квантовата информация, което е важно за развитието на бъдещи наноустройства и квантови технологии.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

Modelling superconductivity and spin-related effects in hybrid molecular/two-dimensional materials

At the intersection of materials science, solid-state physics and quantum chemistry, research on two-dimensional (2D) layered materials and their van der Waals (vdW) heterostructures have been attracting enormous attention. The fascination for this new generation of materials, with only a few nanometers thickness, arose from the extraordinary properties that appear when reducing dimensionality and the potential that these properties can offer for the next generation of nanodevices. In particular, the development of hybrid vdW heterostructures that combine a sublimable molecular magnetic material deposited on top of a superconducting monolayer is a promising pathway to create coherent bound states, which are interesting for future advances in molecular spintronics and quantum technologies. However, the understanding and control of the spin dynamics at the nanoscale is an essential step towards the successful design of this kind of materials in order to preserve the encoded quantum information. The project SuperSpinHyMol had as a main objective the development of a full theoretical and computational framework for the rational design of a new generation of hybrid molecular/2D nanodevices with the aim of coupling coherently distant molecular spin qubits via interface states that can be tuned by chemical engineering. Thus, through this project we have explored the electronic, magnetic and superconducting properties of (a) novel molecular nanomagnets, (b) transition metal dichalcogenides (TMDs) and transition metal trihalides (TMHs) layered materials as a function of dimensionality and (c) hybrid vdW heterostructures by combination of them. In line with the main objectives of the proposed action, state-of-the-art first principles combined with effective ligand field calculations have been performed, predicting and modelling the magneto-structural properties of new magnetic materials, exploring their transport properties and investigating spin-related effects on the interface of hybrid molecular/2D materials.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

At the intersection of materials science, solid-state physics and quantum chemistry, the design of novel materials in which two or more physical properties are combined into the same solid is currently attracting important attention. In this project, we propose the development of a new generation of hybrid molecular/two-dimensional materials formed by a coordination complex processed into a two-dimensional superconducting substrate (e.g. CuPc@NbSe2 or [V(C3S5)3]@TaS2). The selected molecules to form such architectures are nanomagnets that can be used as molecular spin qubits, the irreducible components of any quantum technology. By using state-of-the-art first-principles methods combined with recent theoretical developments in the host group we intend to establish a full theoretical and computational framework for the rational design of these new hybrid nanomaterials, which can potentially enable the coherent coupling between distant molecular spin qubits through new superconducting phases. With this aim in mind, we will simulate their electronic properties in the normal and superconducting phase, as well as the spin-related effects that will take place due to the interplay between molecular magnetism and superconductivity at the nanometre scale. SuperSpinHyMol will be hosted by a leading expert in the field, Prof. Ángel Rubio, director of the MPSD (Germany) and will also involve collaboration with top international experimental groups, which will fabricate and characterise the proposed materials. Thus, the theoretical results of this project will be benchmarked against high-resolution experiments and refined when necessary. In the long-term, the progress of this project is expected to have profound impacts on materials science, condensed matter physics, as well as molecular magnetism, providing the foundations to guide the design of new nanodevices using chemical engineering for future advances in quantum computing and molecular spintronics.

Оригинален текст от CORDIS (на английски).

Участници

MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV · MUNCHENКоординаторГермания