Functional Materials (FM)

The Functional Materials CG is working to develop new materials for the electronics, photonic and energy conversion.
Study and design new functional materials in the following areas:
  • High performance magnetic materials: hard magnets, spintronics, spin-torque transfer
  • Energy conversion materials: Batteries, photovolatics, thermoelectric, multiferroics
  • Materials for photonic circuitry: plasmonics, non-linear optics, ferroelectrics
  • Functional nano/mesoscale materials

Figure 3: Theoretical prediction of the crystal structure and the existence of new ferroelectric properties of mesocrystal NH4TiOF3. Appl. Phys. Lett., (2013) 102, 232903

Selected Publications
  • O.I. Malyi, T.L. Tan, S. Manzhos In search of high performance anode materials for Mg batteries: computational studies of Mg in Ge, Si, and Sn J. Power Sources, 2013, 233, 341-345. DOI: 10.1016/j.jpowsour.2013.01.114
  • H. Glowatzki, P. Sonar, S. P. Singh, A. M. Mak, M. B. Sullivan, W. Chen, A. T. S. Wee, and A. Dodabalapur. Band Gap Tunable N-Type Molecules for Organic Field Effect Transistors J. Phys. Chem. C, 2013, 117, 11530-11539. DOI: 10.1021/jp311092s
  • Huajun Liu, Ping Yang, Zhen Fan, Amit Kumar, Kui Yao, Khuong Phuong Ong, Kaiyang Zeng, and John Wang Uniaxial strain-induced ferroelectric phase with a giant axial ratio in a (110) BiFeO3 thin film Phys. Rev. B., 2013, 87, 220101(R). DOI: 10.1103/PhysRevB.87.220101
  • Yanqiong Liu, Amit Kumar, Zhen Fan, Yu Zhang, Qingqing Ke, Kaiyang Zeng, John Wang, David J. Singh and Khuong P. Ong Ferroelectricity and dipole-dipole interactions in NH4TiOF3 mesocrystals Appl. Phys. Lett., 2013, 102, 232903. DOI: 10.1063/1.4809946
  • Yanyuan Zhao, Xin Luo, Hai Li, Jun Zhang, Paulo T. Araujo, Chee Kwan Gan, Jumiati Wu, Hua Zhang, Su Ying Quek, Mildred S. Dresselhaus, and Qihua Xiong Interlayer Breathing and Shear Modes in Few-Trilayer MoS2 and WSe2 Nano Lett. 2013, 13, 1007-1015. DOI: 10.1021/nl304169w
  • K. H. Khoo, G. Wu, M. H. Jhon, M. Tran, F. Ernult, K. Eason, H. J. Choi, and C. K. Gan First-principles study of perpendicular magnetic anisotropy in CoFe/MgO and CoFe/Mg3B2O6 Interfaces 2013, 87, 174403. DOI: 10.1103/PhysRevB.87.174403
  • Man-Fai Ng and Teck L. Tan Unveiling Stable Group IV Alloy Nanowires via a Comprehensive Search and Their Electronic Band Characteristics Nano Lett. 2013, 13, 4951–4956. DOI: 10.1021/nl402987c