We had 5 new publications in 2016.
- Our first publication of the year was a multinational collaboration led by Dr. Jaume Gazquez of ICMA Barcelona demonstrating the presence of dilute ferromagnetism induced by point defects in a high-TC superconductor: two highly antagonistic phenomena. The exact atomic structure of these complex point defects and their ferromagnetic nature was predicted theoretically by Rohan and subsequently confirmed by experiments. This work appeared in Advanced Science.
- The second paper involved STEM-EELS and DFT calculations to show atomic-scale reconstruction of a reduced surface of a transition metal oxide. It also includes a prediction of the presence of spin-polarized two-dimensional electron gas at the surface of the oxide due to reduction. This work appeared in Physical Review B.
- The third paper was about increasing the conductivity of a transparent-conducting-oxide film of ZnO by doping with Ta using atomic layer deposition. This work was in collaboration with Prof. Parag Banerjee at WashU whose group grew the films and characterized them. Xing Huang carried out extensive DFT calculations to elucidate the role of Ta dopants and other defects in the films. This work appeared as part of a special issue in Advanced Materials Interfaces.
- The fourth paper was on new A3Bi2I9 ternary bismuth iodides for photovoltaic applications and was led by Xing Huang. Using DFT calculations, we predicted the effect of changing the size of different A-cations in these compounds on its electronic and optical properties, which were confirmed by experiments carried out by Dr. Su Huang and Prof. Pratim Biswas at WashU. This work appeared in the Journal of Physical Chemistry C and highlights the reasons why A3Bi2I9 ternary bismuth iodides are sub-optimal to be used in abosrber layer of solar-cells.
- The final paper of 2016 appeared in the Journal of Applied Physics. The work involved investigating the effect of a new tunnel-barrier material in magnetic tunnel junctions for use in data storage applications and was led by the group of Prof. Arun Gupta of University of Alabama.