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.

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

The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The period of employment is 3 years.

Further information may be obtained from Thomas Olsen, email: [email protected]. You can read more about the department of Physics and the section for Computational Atomic-scale Materials Design (CAMD) at http://www.camd.dtu.dk

Application

Please submit your online application no later than October 1st 2020. Apply online at

https://www.dtu.dk/english/About/JOB-and-CAREER/vacant-positions//job?id=e045b03e-2b2f-4768-9868-aa8720ec2c3c

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
• Diploma (MSc)

Applications and enclosures received after the deadline will not be considered. All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply.