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Position: PhD position in Antiferromagnetism in 2D from first principles
Institution: Technical University of Denmark
Location: Kongens Lyngby, Lyngby‐Taarbæk Municipality, Denmark
Duties: The successful candidate will be responsible for developing a first principles (DFT) framework that can establish the magnetic ground state of a given material. In particular, we will apply a mapping to a corresponding Heisenberg model that forms the basis of subsequent thermodynamic analysis. Magnetic anisotropy is a crucial ingredient for magnetic order in 2D materials and one has to develop methodology beyond mean-field theory to obtain even the crudest estimate of critical temperatures for magnetic order. In the present project we will be using two complementary methods. 1) Spin-wave analysis in the random phase approximation, which is a fully quantum mechanical method but makes severe approximations of correlation effects. 2) Classical Monte Carlo simulations that are fully correlated but, neglect quantum effects
Requirements: Candidates should have a master’s degree in physics, materials science or a similar degree and a strong background in either first principles simulations or theoretical magnetism. Knowledge of python programming will be an advantage but is not required. In addition, the candidate must have excellent communications skills in English
   
Text: PhD position in Antiferromagnetism in 2D from first principles DTU Physics Share on Facebook Share on Twitter Share on Linkedin Tuesday 11 Aug 20 Apply for this job Apply no later than 1 October 2020 Apply for the job at DTU Physics by completing the following form. Apply online One PhD position is available at the section for Computational Atomic-scale Materials Design (CAMD), department of physics, Technical University of Denmark (DTU). The main focus of CAMD is first principles simulations of materials properties in the framework of Density Functional Theory. Research activities in the section include magnetism, ferroelectrics, spin-orbit physics, optical properties, two-dimensional materials, high throughput materials discovery, and machine learning. The present project will focus on the theory and simulations of antiferromagnetic order in 2D materials. We will use first principles simulations to obtain exchange and anisotropy parameters for real materials and apply a combination of renormalized spin wave theory and Monte Carlo simulations to establish quantitative estimates for critical temperatures. Responsibilities and tasks The successful candidate will be responsible for developing a first principles (DFT) framework that can establish the magnetic ground state of a given material. In particular, we will apply a mapping to a corresponding Heisenberg model that forms the basis of subsequent thermodynamic analysis. Magnetic anisotropy is a crucial ingredient for magnetic order in 2D materials and one has to develop methodology beyond mean-field theory to obtain even the crudest estimate of critical temperatures for magnetic order. In the present project we will be using two complementary methods. 1) Spin-wave analysis in the random phase approximation, which is a fully quantum mechanical method but makes severe approximations of correlation effects. 2) Classical Monte Carlo simulations that are fully correlated but, neglect quantum effects. The topic is challenging but offers a unique chance to delve deep into the rapidly evolving field of magnetism in 2D. Once the methodology has been developed and benchmarked it will be applied to search for new promising antiferromagnetic 2D compounds using experimental and theoretical databases of 2D materials. Qualifications Candidates should have a master’s degree in physics, materials science or a similar degree and a strong background in either first principles simulations or theoretical magnetism. Knowledge of python programming will be an advantage but is not required. In addition, the candidate must have excellent communications skills in English. Approval and Enrolment The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see the DTU PhD Guide . Assessment The assessment of the applicants will be made by Prof. Thomas Olsen and will be based on CV, grade transcripts, the cover letter, and references. We offer DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility. The university is located in close proximity to the beautiful city of Copenhagen. DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility. Salary and appointment terms The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The period of employment is 3 years. You can read more about career paths at DTU here . Further information Further information may be obtained from Thomas Olsen, email: tolsen@fysik.dtu.dk You can read more about the department of Physics and the section for Computational Atomic-scale Materials Design (CAMD) at www.camd.dtu.dk Application Please submit your online application no later than 1 October 2020 (23:59 local time). Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply online", fill out the online application form, and attach all your materials in English in one PDF file . The file must include: A letter motivating the application (cover letter) Curriculum vitae Grade transcripts and BSc/MSc diploma Excel sheet with translation of grades to the Danish grading system (see guidelines and Excel spreadsheet here ) Candidates may apply prior to ob­tai­ning their master's degree but cannot begin before having received it. Applications and enclosures received after the deadline will not be considered. A ll interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply. Technology for people DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear vision to develop and create value using science and engineering to benefit society. That vision lives on today. DTU has 12,000 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. Our main campus is in Kgs. Lyngby north of Copenhagen and we have campuses in Roskilde and Ballerup and in Sisimiut in Greenland.
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