The II-IV Nitrides Materials System as a Novel Design Space for Quantum Materials (Sec II, A, i. 9.3 Physical Properties Materials )
Abstract
The objective of the proposal is to investigate the atomic/electronic structures and uncover possible new physical phenomena in novel II-IV nitride materials (e.g. ZnGeN2) by performing first-principles calculations. The PI proposed to perform systematic first-principles calculations to explore the properties of II-IV-Nitrides materials system as a novel design space for quantum materials. Specifically the PI proposes to calculate atomic and electronic structures of bulk ZnGeN2, ZnSiN2, and ZnSnN2 , and ZnPbN2 in various crystal structures. In addition, the effects of other elements such as Cd, Be, Mg substitutions in Zn sites will also be investigated. N-type and P-type doping as well as the influence of defects such as point defects and cation-site disorder will be investigated. Other novel phenomena such as topological insulating phenomena in heterostructures of II-IV nitrides will also be assessed.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 27, 2017
- Source ID
- W911NF1610538
Entities
People
- Christian Van De Walle
Organizations
- Army Contracting Command
- United States Army
- University of California, Santa Barbara