About the Project
The main research lines of the Theory and Simulation Group are:
• Development of theoretical methods, numerical algorithms and simulation tools
• Codes: SIESTA and TRANSIESTA
• First-principles simulations at the nanoscale
• Novel physical properties in 2D materials
This project will cover the following aspects: First-principles simulations, quantum transport, spintronics, nanoelectronics, magnetism, topological insulators, heterostructures, interfaces, nanomaterials, computational material design
The project focuses on the use and development of first-principles computational techniques to engineer novel topological insulating materials, for spintronics applications.
Topological Insulators (TI) are a recently discovered state of matter displaying a bulk energy gap and conducting surface states protected by time-reversal symmetry. The robustness of these surface states against defects and temperature makes possible spin transport without losses and find applications in low-dissipation spintronic devices. The challenge is to discover TI materials which are robust and compatible with actual device implementation. Hence, new routes to design TI need to be explored.
The computational approach is an optimal tool to accelerate material development. As the chemical-physical properties of materials ultimately depend on their atomic structure, quantum-mechanical simulations with atomic resolution, such as Density Functional Theory (DFT) and Non-Equilibrium Green’s Functions (NEGF) techniques, are necessary to achieve accurate predictions of their electronic, magnetic and quantum transport properties. This approach allows one to explore existing and predict new nanostructures, tune their properties, model quantum spin transport in realistic operating conditions, and ultimately automate the prediction of novel functional materials.
Eligibility Criteria
To be admitted to the review process, candidates must comply with the following eligibility criteria:
• Presenting complete applications including all requested compulsory information and documentation.
• Having not spent more than 12 months of the prior 36 months in Spain, at the time of the call deadline. You will be required to confirm your compliance through a self-declaration.
• Hold a University degree (by the time of enrollment in the PhD program) that would qualify the applicant to enter one of the PhD programmes recognized by the BIST research centers. These have formal agreements with the major Catalan Universities (UB, UAB, UPC, URV, and UPF) whereby BIST senior researchers (generally of professorial rank and enjoying international recognition) are accredited to supervise PhD students, who do their research at BIST research centres and obtain their degree from the corresponding university. Please provide evidence when you apply (e.g. scanned copy of your degree or similar).
• At the time of the call deadline, be in the first 4 years of your scientific post gradual career (full-time equivalent research experience). In case your University degree was longer ago than 4 years, you will need to provide documental evidence for complying with this criteria.
• Having not been awarded yet a PhD degree.