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Discovering light-induced phases by first-principles material design

Project description

New theoretical foundations support the prediction and discovery of photoinduced phases in materials

Phase transitions and broken symmetry are interrelated and widespread in physics, mathematics, and engineering, fundamental to phenomena from superconductivity to the particle physics of the early universe. Broken symmetry with a phase transition means that the new state has a symmetry not shown by the system in its ground state. Ultrafast lasers can induce reversible and irreversible phase transitions but the theory to explain these phenomena is largely lacking. The EU-funded DELIGHT project plans to fill this knowledge gap, developing a theoretical strategy to predict and discover photoinduced phases in materials. It will guide future experiments and the rational development of novel materials and devices.

Objective

Ultrafast lasers sources open new perspectives in exploring broken symmetry phases as it becomes possible to promote a substantial number of electrons in excited states generating a thermalized electron-hole plasma and leading to reversible or irreversible phase transitions. Light-induced charge density waves, order-disorder transitions, melting, stabilization of topological phases and laser-tunable ferroelectricity have been demonstrated. Experiments are far ahead of theory as few (if any) of the demonstrated light-induced phenomena have been predicted by theory.

DELIGHT aims to develop a theoretical strategy to predict and discover photoinduced phases in materials. To accomplish this goal, we will develop quantum-chemical and molecular dynamics schemes including the effect of the thermalized electron-hole plasma on the crystal potential and accounting for light-induced non-perturbative quantum anharmonicity.

DELIGHT will answer these questions: which systems undergo light induced phase transitions ? Can we use light pulses to enhance or tune charge density wave, ferroelectric and magnetic critical temperatures, to generate new topological phases or to optimize the properties of thermoelectric materials ? Can we develop an inverse design strategy, namely given a target property, determine which material will have to be photoexcited and at which fluence to obtain it ?

The proposal will impact chemistry, physics, energy and material engineering. It could lead, for example, to the development of devices with dynamical light switching on/off of magnetism or ferroelectricity, relevant for ultrafast memories, or to the stabilization of new thermoelectric compounds with photo-tunable thermal conductivity and figure of merit. DELIGHT will foster these and similar developments by implementing a fundamentally new and unique database of out-of-equilibrium accessible states of matter that will be a reference for future experiments.

Fields of science (EuroSciVoc)

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Keywords

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Programme(s)

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Topic(s)

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Funding Scheme

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HORIZON-ERC - HORIZON ERC Grants

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) ERC-2021-ADG

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Host institution

UNIVERSITA DEGLI STUDI DI TRENTO
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 2 117 141,00
Address
VIA CALEPINA 14
38122 Trento
Italy

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Region
Nord-Est Provincia Autonoma di Trento Trento
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 2 117 141,00

Beneficiaries (1)

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