List of Publications

Publication of Yu-Jun Zhao

For a full list and citation info, see Google Scholar or ResearcherID.com

-----Publications outside of SCUT-----

-----2009-----

36.	"First-principles-based embedded atom method for PdAu nanoparticles", (abstract/pdf) Bin Shan, LiGen Wang, S. Yang, J. Hyun, N. Kapur, Yu-Jun Zhao, J. B. Nicholas, and K. Cho, Phys. Rev. B 80, 035404(2009).
35.	"Coverage-Dependent CO Adsorption Energy from First-Principles Calculations", (abstract/pdf) Bin Shan, Yu-Jun Zhao, Jangsuk Hyun, Neeti Kapur, J. B. Nicholas, and K. Cho J. Phys. Chem. C 113, 6088(2009).

-----2006-----

34.	"Structural stability of (Ga,Mn)As from first principles: Random alloys, ordered compounds, and superlattices", (abstract/pdf) J. Osorio-Guillen, Yu-Jun Zhao, S. V. Barabash, and Alex Zunger, Phys. Rev. B 74, 035305 (2006)

-----2005-----

33.	"Practical rules for orbital-controlled ferromagnetism of 3d impurities in semiconductors", (abstract/pdf) Yu-Jun Zhao, P. Mahadevan, and Alex Zunger, J. Appl. Phys. 98, 113901 (2005)
32.	"Strong interface adhesion in Fe/TiC", (abstract/pdf) J.-H. Lee, T. Shishidou, Yu-Jun Zhao, A. J. Freeman, Philosophical Magazine 85, 3683 (2005)
31.	"n-type doping of CuInSe2 and CuGaSe2", (abstract/pdf) Clas Persson, Yu-Jun Zhao, Stephan Lany, and Alex Zunger, Phys. Rev. B 72, 035211 (2005)
30.	"Zinc-blende half-metallic ferromagnets are rarely stabilized by coherent epitaxy", (abstract/pdf) Yu-Jun Zhao and Alex Zunger, Phys. Rev. B 71, 132403 (2005).
29.	"Halogen n-type doping of chalcopyrite semiconductors", (abstract/pdf) Stephan Lany, Yu-Jun Zhao, Clas Persson, and Alex Zunger, Appl. Phys. Lett. 86, 042109 (2005)

-----2004-----

28.	"Why can CuInSe2 be readily equilibrium-doped n-type but the wider-gap CuGaSe2 can not", (abstract/pdf) Yu-Jun Zhao, Clas Persson, Stephan Lany, and Alex Zunger, Appl. Phys. Lett. 85, 5860 (2004)
27.	"Magnetism and electronic structure of Fe chains and nano-wires", (abstract/pdf) Tzong-Jer Yang, Yu-Jun Zhao, A. J. Freeman, J. Mag. Mag. Mater. 272-276, 1648 (2004)
26.	"Comparison of predicted ferromagnetic tendencies of Mn substituting the Ga site in III-V's and in I-III-VI2 chalcopyrite semiconductors", (abstract/pdf) Yu-Jun Zhao, Priya Mahadevan, and Alex Zunger, Appl. Phys. Lett. 84, 3753 (2004)
25.	"Screen-exchange determination of the optical properties of large gap insulators: CaF2", (abstract/pdf) Miyoung Kim, Yu-Jun Zhao, A. J. Freeman, and W. Mannstadt, Appl. Phys. Lett. 84, 3579 (2004)
24.	"Electronic Structure and Ferromagnetism of Mn-substituted CuAlS2, CuGaS2, CuInS2, CuGaSe2, and CuGaTe2", (abstract/pdf) Yu-Jun Zhao and Alex Zunger, Phys. Rev. B 69, 104422 (2004)
23.	"Site Preference for Mn substitution in spintronic CuM^IIIX₂^VI chalcopyrite semiconductors", (abstract/pdf) Yu-Jun Zhao and Alex Zunger, Phys. Rev. B 69, 075208 (2004)

-----2003-----

22.	"Advanced tetrahedrally-bonded magnetic semiconductors for spintronic applications", (abstract/pdf) A. J. Freeman and Yu-Jun Zhao, J. Phys. Chem. Solids 64(9-10), 1453 (2003)
21.	"Electronic structure of conducting polymers: Limitations of oligomer extraploation approximations and effects of heteroatoms", (abstract/pdf) G.R.Hutchison, Yu-Jun Zhao, B. Delley, A.J. Freeman, M.A.Ratner, T.J.Marks, Phys. Rev. B 68, 035204 (2003).
20.	"Overlayer and superlattice studies of metal/ceramic interfaces: Fe/TiC", (abstract/pdf) T. Shishidou, J.-H. Lee, Yu-Jun Zhao, A.J. Freeman, and G.B. Olson, J. Appl. Phys. 93(10), 6876(2003)
19.	"Ruderman-Kittel-Kasuya-Yosida-like ferromagnetism in Mn_xGe_1-x", (abstract/pdf) Yu-Jun Zhao, T. Shishidou, and A.J. Freeman, Phys. Rev. Lett. 90, 047204 (2003)

-----2002-----

18.	"Mn doped CuGaS₂ chalcopyrites: An ab-initio study of ferromagnetic semiconductors", (abstract/pdf) S. Picozzi, Yu-Jun Zhao, A.J. Freeman, B. Delley. Phys. Rev. B 66, 205206(2002)
17.	"Structural, electronic and magnetic properties of chalcopyrite magnetic semiconductors: A first-principles study", (abstract/pdf) S. Picozzi, A. Continenza, Yu-Jun Zhao, W.T. Geng, and A.J. Freeman, J. of Vac. Sci. & Tech. A20(6), 2023 (2002)
16.	"Room-temperature ferromagnetic semiconductor: (Zn_1-xMn_x)GeP₂", (abstract/pdf) Sunglae Cho, Sungyoul Choi, Gi-Beom Cha, Soon Cheol Hong, Yunki Kim, Yu-Jun Zhao, Arthur J. Freeman, John B. Ketterson, B. J. Kim, Y. C. Kim, and Byung-Chun Choi, Phys. Rev. Lett. 88, 257203(2002).
15.	"First-principles prediction of a new class of ferromagnetic semiconductors", (abstract/pdf) Yu-Jun Zhao and A. J. Freeman, J. of Mag. and Mag. Mater. 246, 145-150 (2002).
14.	"Possible impurity induced ferromagnetism in II-Ge-V₂ chalcopyrite semiconductors", (abstract/pdf) Yu-Jun Zhao, S. Picozzi, A. Continenza, W. T. Geng and A. J. Freeman, Phys. Rev. B 65, 094415(2002).
13.	"Structural, electronic, and magnetic properties of MnAs: LDA and GGA investigations", (abstract/pdf) Yu-Jun Zhao, W. T. Geng, A. J. Freeman, and B. Delley, Phys. Rev. B 65, 113202(2002).

-----2001-----

12.	"Electronic and magnetic properties of Ga_1-xMn_xAs: Role of Mn defect bands", (abstract/pdf) Yu-Jun Zhao, W. T. Geng, K. T. Park, and A. J. Freeman, Phys. Rev. B 64, 035207 (2001).
11.	"Magnetism of chalcopyrite semiconductors: Cd_1-xMn_xGeP₂", (abstract/pdf) Yu-Jun Zhao, W. T. Geng, A. J. Freeman, and T. Oguchi, Phys. Rev. B 63, R201202 (2001).
10.	"Atomic displacement at a Sigma3(111) grain boundary in BaTiO₃: A first-principles determination", (abstract/pdf) W. T. Geng, Yu-Jun Zhao, A. J. Freeman, and B. Delley, Phys. Rev. B 63, 060101 (2001).

-----before 2000-----

9.	"Ab initio Molecular Dynamics Study of Sulfur Adsorption on Si(100) surface", (abstract/pdf) Yu-Jun Zhao, Ming Jiang, Guanming Lai and Pei-Lin Cao, Phys. Lett. A 255/4-6, 361-366(1999).
8.	"Reconstruction of small Si cluster after ethylene adsorption: A full-potential linear-muffin-tin-orbital molecular-dynamics study", (abstract/pdf) Min Qiu, Ming Jiang, Yu-Jun Zhao, and Pei-Lin Cao, J. of Chem. Phys., 10738-10745(1999).
7.	"Ab initio Molecular Dynamics Study of adsorption and restoration: Si(100):Se", (abstract/pdf) Yu-Jun Zhao, Pei-Lin Cao, and Guanming Lai, J. of Phys.: Condens. Matt. 10, 7769(1998).
6.	"Surfactant-mediated layer-by-layer homoepitaxial growth of Cu/In/Cu(100) and Ag/Sb/Ag(111) system: A theoretical study", (abstract/pdf) Ming Jiang, Yu-Jun Zhao, and Pei-Lin Cao, Phys. Rev. B57, 10054-10061(1998).
5.	"A theoretical study of surfactant action in the layer-by-layer homoepitaxial growth of metals: the case of In on Cu(111)", (abstract/pdf) Ming Jiang, Min Qiu, Yu-Jun Zhao, and Pei-Lin Cao, Phys. Lett. A, 239, 127(1998).
4.	"Ab initio Molecular Dynamics", (abstract/pdf) Yu-Jun Zhao, Ming Jiang, Pei-Lin Cao. Progress in Physics (in Chinese), Vol.18, No.1, 47-74(1998).
3.	"The adsorption and reaction of dehydrogenated ethylene on Ni(111): a theoretical study", (abstract/pdf) Yu-Jun Zhao, S. Bao and Pei-Lin Cao, J. of Phys.: Condens. Matt., 9, 9507(1997).
2.	"Acetylene adsorption on Cu(111) and stepped Cu(111): theoretical study", (abstract/pdf) Lie-Quan Lee, Dan-Hua Shi, Yu-Jun Zhao, and Pei-Lin Cao, J. of Phys.: Condens. Matt., 7, 6449(1995).
1.	"Path integrate approach to the propagator for a charged particle in a time-dependent electromagnetic field", (abstract/pdf) Jin-Bo Xu, Yu-Jun Zhao, and Xiao-Chun Gao, Commun. Theor. Phys. 22, 135 (1994).

Last update: September, 2011