Selected Publications
1. G. Ding,G. Y. Gao∗, Z. Huang, X. Zhang, and K. Yao, “Thermoelectric properties of monolayerMSe2(M=Zr, Hf): Low lattice thermal conductivity and promising figure of merit”,Nanotechnology(in publication 2016).
2. G. Ding, J. Carrete, W. Li,G. Y. Gao∗, and K. Yao, “Ultralow lattice thermal conductivity in topological insulator TlBiSe2”,Appl. Phys. Lett.108, 233902 (2016).
3.G. Gao∗, G. Ding, J. Li, M. Wu, K. Yao, and M. Qian, “Monolayer MXenes: Promising half-metals and spin gapless semiconductors”,Nanoscale8, 8986 (2016).
4. G. Ding,G. Gao∗, and K. Yao, “High-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds”,Sci. Rep.5, 9567 (2015).
5. F.-X. Zu,G.-Y. Gao, H.-H. Fu, L. Xiong, S.-C. Zhu, L. Peng, and K.-L. Yao∗, “Efficient spin filter and spin valve in a single-molecule magnet Fe-4 between two graphene electrodes”,Appl. Phys. Lett.107, 252403 (2015).
6.G. Y. Gao∗and K. L. Yao∗, “Surface half-metallicity of CrS thin films and perfect spin filtering and spin diode effects of CrS/ZnSe heterostructure”,Appl. Phys. Lett.105, 182405 (2014).
7. G. Ding,G. Y. Gao∗, and K. L. Yao, “Thermoelectric performance of half-Heusler compounds MYSb (M = Ni, Pd, Pt)”,J. Phys. D47, 385305 (2014).
8.G. Y. Gao∗and K.-L. Yao∗, “Antiferromagnetic half-metals, gapless half-metals, and spin gapless semiconductors: The D03-type Heusler alloys”,Appl. Phys. Lett.103, 232409 (2013).
9.G. Y. Gao∗, L. Hu, K. L. Yao, B. Luo, and N. Liu, “Large half-metallic gaps in the quaternary Heusler alloys CoFeCrZ (Z=Al, Ga, Si, Ge): A first-principles study”,J. Alloys Compd.551, 539 (2013).
10.G. Y. Gao∗and K.-L. Yao∗, “First-principles prediction of half-metallic ferromagnetism in five transition-metalchalcogenides: The case of rocksalt structure”,J. Appl. Phys.111, 113703 (2012).
11.G. Y. Gao∗, B. Xu, and K.-L. Yao∗, “Surface-induced truly half-metallicity in VTe with rocksalt structure from first-principles calculations”,J. Appl. Phys.111, 103703 (2012).
12.G. Y. Gao∗, K. L. Yao, and N. Li, “Preserving the half-metallicity at the surfaces of rocksalt CaN and SrN and the interfaces of CaN/InN and SrN/GaP: a density functional study”,J. Phys.: Condens. Matter23, 075501 (2011).
13.G. Y. Gao∗, K. L Yao, Z. L. Liu, Y. Min, J. Zhang, S. W. Fan, and D.H. Zhang, “Bulk and surface sp half-metallic ferromagnetism in alkali metal pnictides with rocksalt structure: a first-principles calculation”,J. Phys.: Condens. Matter21, 275502 (2009).
14.G. Y. Gao∗and K. L. Yao∗, “Half-metallic sp-electron ferromagnets in rock-salt structure: The case of SrC and BaC”,Appl. Phys. Lett.91, 082512 (2007).
15.G. Y. Gao∗, K. L. Yao∗, E. Sasioglu∗, L. M. Sandratskii, Z. L. Liu, and J. L. Jiang, “Half-metallic ferromagnetism in zinc-blende CaC, SrC, and BaC from first-principles”,Phys. Rev. B75, 174442 (2007).