IPTM · The Inverse Problem for Topological Materials, towards new topologies and new functionalities in real settings
„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“
- Период
- 2022-01-01 → 2024-01-23
- Финансиране от ЕС
- 224 934 €
- Участници
- 1
- Схема
- MSCA-IF
Линиите свързват координатора с партньорите.
Накратко на български
Топологичните материали се изследват чрез създаване на модели, които свързват структурата на електронните ленти с конкретни кристални решетки. Това помага за по-доброто разбиране на физичните свойства на материалите и предсказването на нови такива с полезни функции.
Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.
Резултати накратко
The Inverse Problem for Topological Materials, towards new topologies and new functionalities in real settings
The recent classification of symmetry-indicated band structure topologies for all space groups has led to the prediction of thousands of topological materials (TM). We are thus at a very exciting crossroad where the theory of TM is gaining enough maturity to impact material science, opening the way to real settings and potential long-term applications. There are however key challenges remaining towards the building of functional topological quantum devices. Indeed, the microscopic origin of topology in TM is not well understood because (i) the general analytical conditions for nontrivial topology are hidden by the eigenvalue problem for which no closed-form exists beyond very low-rank matrices, (ii) there is a jump in complexity when considering the many-band models that include all relevant physical degrees of freedom of real materials (sub-lattices, orbitals, spins) leading to high-dimensional parameter spaces. The aim of this “Inverse Problem for Topological Materials” (IPTM) project is to address these issues concretely: (A) by establishing the inverse map from a fixed band structure topology to few-band lattice models, (B) by adding symmetry conditions (point groups and space groups) for the most representative crystalline structures, and (C) by establishing the inverse map in real settings through the state-of-the-art modeling of real materials obtained from the combination of (C.1) first principles results (Density Function Theory and optimized wannierization) and (C.2) tight-binding models systematically derived from group theory. Aiming at a fundamental understanding of topology in materials, this project aims to make significant steps in our ability to predict new TM with new functionalities.
Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз
Цел на проекта
The recent classification of symmetry-indicated band structure topologies for all crystallographic structures has led to the prediction that one third of all materials are topological. We are thus at a very exciting crossroad where the theory of topological materials (TM) is gaining enough maturity to transform material science, opening the way to real settings and potential long term applications. There are however key challenges remaining for the building of efficient topological quantum devices. Indeed, little is known on the microscopic origin of topology in TM because (i) the general analytical conditions for nontrivial topology is unknown even for simple tight-binding models, (ii) there is a big jump in complexity towards the modeling of real materials (including all sub-lattices, orbitals, and spins), and (iii) the quantum interactions are hidden in the effective one-body (tight-binding) parameters. The aim of this “Inverse Problem for Topological Materials” (IPTM) proposal is to address these issues concretely and practically; (A) by establishing the inverse map for generic few-band lattice models, and then by refining to the most representative crystalline symmetric structures; (B) by establishing the inverse map in real settings through the state-of-the-art modeling of (families of) real materials from the combination of first principles computational results (Density Function Theory and optimized wannierization) and with lattice models systematically derived from group theory; (C) by extracting the contributions of the quantum interactions (electron-electron, electron-phonon, exchange) to the microscopic tight-binding parameters. Aiming at a fundamental understanding of topology in materials, this proposal aims to culminate in the prediction of completely new physics and functionalities, allowing the design of future quantum technology. Consequently this timely action is anticipated to start a new chapter in this active and impactful branch of science.
Оригинален текст от CORDIS (на английски).
Участници
- THE CHANCELLOR MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE · CAMBRIDGEКоординаторОбединеното кралство
Връзки
Данни: CORDIS, © Европейски съюз