2D Magnetic Heterostructures and Application of TOMBO Code to Hyperfine Structures
Abstract
Recent experimental finding of monolayer semiconductors with intrinsic ferromagnetism (2D magnet, CrI3 and MnSe2) is an important issue in air vehicle and satellite applications, which require lightweight materials. To survey better property materials than them, theoretical investigations are necessary to understand the quantum mechanical behaviours in this new type of materials. The all-electron full-potential ab initio simulation code TOMBO, which has been developed in Tohoku University, is a good candidate to be applied to study 2D magnet, since it can estimate absolute energy values in this system and especially core related properties such as NMR chemical shift and hyperfine structure accurately with less computational effort which are important in magnetic materials. In 3 year period, the origin of 2D stable atomic structure, physical/chemical properties in 2D magnet is clarified, and based on this knowledge other 2D magnets are predicted theoretically and experimental groups try to realize them to be useful in industries. The results make a high level impact to the society by proposing a new category of magnetic materials useful in space and other applications.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Aug 28, 2018
- Source ID
- FA23861814050
Entities
People
- Yoshiyuki Kawazoe
Organizations
- Air Force Office of Scientific Research
- United States Air Force