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PhD POSITION in Density Functional Simulations o ... (No replies)

senersen
5 years ago
senersen 5 years ago

Applications are invited PhD position within the Advanced Materials Group (Department of Control Engineering, Faculty of Electrical Engineering, Czech Technical University in Prague) to work on the physical, electronic and optical properties of transition metal dichalcogenide heterostructures using density functional theory.

SHORT DESCRIPTION OF THE PROJECT:
Transition Metal Dichalcogenides (TMDs) are denoted as MX2 where M is the transition metal and X is the chalcogen atom (S, Se or Te). The three dimensional TMDs are similar to graphite in the sense that they are composed of layers (just like graphene) that are held together with Van der Waals forces. 2D-TMDs can be metal, half metal or insulator depending on M. Moreover, they can be found in 1T, 2H or 3R geometry giving even more versatility in their properties. Furthermore, it is possible to combine single layers of different TMDs. Motivated by this versatility and combination options, we aim to investigate the physical, electronic and optical properties of TMD heterostructures using density functional theory (DFT) and time-dependent density functional theory (TDDFT) and exploit the new emerging properties for various applications.

OBJECTIVES:
Together with our preliminary results and knowledge, the candidate is also expected to come up with the combinations of TMD heterostructures that can have interesting properties. Moreover, s/he is expected to do DFT and TDDFT calculations for these systems to obtain mechanical, electronic and optical properties under various conditions such as strain and/or doping etc.

JOB REQUIREMENTS:
The candidate must be eligible to work and study in Czech Republic as soon as possible. Successful candidates must have a MSc in Physics, Chemistry, Materials Science or closely related disciplines. Experience with DFT or TDDFT (using ABINIT package preferably) is mandatory. Good knowledge of quantum mechanics and solid state physics is a must. Good command of English both written and spoken is also compulsory. Any previous knowledge about TMDs is a plus. The candidate must be highly motivated and willing to work hard as this project will be very crucial for her/his future carreer.

ABOUT THE GROUP:

Advanced Materials Group (AMG) was launched in January 2009 at the Department of Control Engineering and quickly became one of the most successful groups in the field of materials science at the faculty. Currently, there are 16 scientists within the group but it is gradually growing. Lead by Prof. Tomas Polcar, AMG is formed of both experimental and computational subgroups. We combine atomistic simulations with advanced deposition method to design and prepare novel functional low-dimensional materials, thin films and alloys for various applications. The group is well-established and consists of dynamic and motivated researchers leading international collaborations on broad interdisciplinary topics such as tribology, solar cells and radiation damage tolerant materials for nuclear applications. To see more about the group please visit here.

POSITION DETAILS:
The Ph.D. study is 4 years, with starting salary of approximately 1000 euros net.

You are required to pass an oral exam on general physics knowledge to be able to start PhD. at the end of May or beginning of June 2019.

HOW TO APPLY:
The call is open immediately and the position will be filled as soon as a proper candidate is found – the starting date is expected to be no later than September 2019. Applications must include a brief description of research interests and relevant experience, the CV with publications, and, optionally, letter of recommendation of academic referees. Inquiries and applications shall be sent to: senhusey@fel.cvut.cz




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Ab initio (from electronic structure) calculation of complex processes in materials