Published SCI Papers by Ming-Hsien Lee
For pdf files please use the link :
http://boson4.phys.tku.edu.tw/my_paper_list/my_paper_list_for_NSC.htm
Ab initio studies on the mechanism for linear and nonlinear optical effects in YAl3(BO3)4
Ran He, Z. S. Lin, M.-H. Lee, and C. T. Chen
Journal of Applied Physics 109, 103510 (2011) pdf
Dependence of the electrical properties of defective single-walled carbon nanotubes on the vacancy density
Y-P. Luo, L-G. Tien, C-H. Tsai, M-H. Lee, and F-Y. Li
Chinese Physics B 20, 0877303 (2011) pdf
Influences of twist boundaries on optical effects: Ab initio studies of the deep ultraviolet nonlinear optical crystal KBe2BO3F2
Z. S. Lin, Lei Bai, Lijuan Liu, M. H. Lee, J. Xu, Xiaoyang Wang, and C. T. Chen
Journal of Applied Physics 109, 073721 (2011) pdf
Effect of vacancy defect on electrical properties of chiral single-walled carbon nanotube under external electrical field
Luo Yu-Pin, Tien Li-Gan, Tsai Chuen-Horng, Lee Ming-Hsien, Li Feng-Yin
Chinese Physics B 20, 017302 (2011) pdf
Eliminating ultraviolet optical absorption through Fe-impurity engineering: Ab initio study of the nonlinear optical crystal K2Al2B2O7
Z. S. Lin, L. F. Xu, Lijuan Liu, J. Xu, M. H. Lee, Z. Fang, and C. T. Chen
Physical Review B 82, 035124 (2010) pdf
Influencing range of vacancy defects in zigzag single-walled carbon nanotubes
Luo YP (Luo Yu-Pin), Tien LG (Tien Li-Gan), Lee MH (Lee Ming-Hsien), Li FY (Li Feng-Yin)
Chinese Physics B 19, 027102 (2010) pdf
First Principles Calculations of Linear and Second-Order Optical Responses
in Rhombohedrally Distorted Perovskite Ternary Halides, CsGeX3 (X = Cl, Br, and I)
Li-Chuan Tang, Yia-Chung Chang, Jung-Yau Huang, Ming-Hsien Lee, and Chen-Shiung Chang
Japanese Journal of Applied Physics 48 (2009) 112402 pdf
Characterization of Vacancy Defect Interaction on the Electric Properties of Zigzag Single-Walled Carbon Nanotubes
YP Luo,
LG Tien,
CH Tsai,
MH Lee,
FY Li
Journal of the Physical Society of Japan 78 (2009) 094715 pdf
First-principles analysis of optical absorption edge in pure
and fluorine-doped SiO2 glass
Tomoyuki Tamura, Shoji Ishibashi, Shingo Tanaka,
Masanori Kohyama, Ming-Hsien Lee
Computational Materials Science 44, 61–66 (2008) pdf
Au on (111) and (110) surfaces of CeO2: A density-functional theory study
Ying Chen, Peijun Hu, Ming-Hsien Lee, Haifeng Wang
Surface Science vol. 602, 1736-1741 (2008) pdf
Influence of vacancy defect density on electrical properties of armchair single wall carbon nanotube
Li-Gan Tien, Chuen-Horng Tsai, Feng-Yin Li, Ming-Hsien Lee
Diamond & Related Materials 17, 563–566 (2008) pdf
First-principles analysis of the optical properties of structural disorder in SiO2 glass
Tomoyuki Tamura, Shoji Ishibashi, Shingo Tanaka, Masanori Kohyama, Ming-Hsien Lee
Physical Review B 77, 085207 (2008) pdf
Surface structures of atomic hydrogen adsorbed on Cu(1 1 1) surface studied by density-functional-theory calculations
M.F. Luo, G.R. Hu and M.H. Lee
Surface Science, Vol 601, 1461-1466 (2007) pdf
Electro-optical modulation for a boron-nitride nanotube probed by first-principles calculations
C.W.Chen, M.H.Lee, Y.T. Lin
Applied Physics Letters , Vol.89, 223105 (2006) pdf
Band-gap modification of defective carbon nanotubes under a transverse electric field
Li-Gan Tien, Chuen-Horng Tsai, Feng-Yin Li, Ming-Hsien Lee
Physical Review B 72, 245417 (2005) pdf
New infrared nonlinear optical crystal CsGeBr3 : Synthesis, structure and powder second-harmonic generation properties
L. C. Tang, J. Y. Huang, C. S. Chang, Ming-hsien Lee, L. Q. Liu
Journal of Physics Condensed Matter, v.17, pp. 7275-7286 (2005) pdf
The mechanism of linear and nonlinear optical effects in fluoride crystals
Y. Tong, X. Y. Meng, Z. Z. Wang, C. T. Chen, Ming-Hsien Lee
Journal of Applied Physics, v.98, 033504 (2005) pdf
Ab initio study of the hygroscopic properties of borate crystals
Zheshuai Lin, L. F. Xu, R. K. Li, Zhizhong Wang, Chuangtian Chen, Ming-Hsien Lee, E. G. Wang, and Ding-sheng Wang
PHYSICAL REVIEW B 70, 233104 (2004)
pdf
Band-resolved analysis of nonlinear optical properties of crystalline and molecular materials
Ming-Hsien Lee, Chou-Hsun Yang, and Jeng-Huei Jan
PHYSICAL REVIEW B 70, 235110 (2004) pdf
The prospect of beryllium–oxygen group to search for new
nonlinear optical crystals
Zheshuai Lin, Zhizhong Wang, Chuangtian Chen a, I-Pin Wu, Ming-Hsien Lee
Chemical Physics Letters 399 (2004) 125–129 pdf
Band gap modification of single-walled
carbon nanotube and boron nitride
nanotube under a transverse electric field
Chun-Wei Chen1, Ming-Hsien Lee2 and S J Clark3
Nanotechnology 15 (2004) 1837–1843 pdf
Structural and electronic properties of wide band gap silicon carbon
nitride materials—a first-principles study
C.W. Chen, M.-H. Lee , L.C. Chen , K.H. Chen
Diamond and Related Materials 13 (2004) 1158–1165 pdf
Gas molecule effects on field emission properties of single-walled carbon
nanotube
Chun-Wei Chen, Ming-Hsien Lee , S.J. Clark
Diamond and Related Materials 13 (2004) 1306–1313 pdf
Mechanism of linear and nonlinear optical effects of chalcopyrite AgGaX2 (X
= S, Se, and Te) crystals
Lei Bai, Zheshuai Lin, Zhizhong Wang, and Chuangtian Chen, Ming-Hsien Lee
JOURNAL OF CHEMICAL PHYSICS 120, 8772 (2004) pdf
Field penetration induced charge redistribution effects on the field emission
properties of carbon nanotubes—a first-principle study
Chun-Wei Chen, Ming-Hsien Lee, S.J. Clark
Applied Surface Science 228 (2004) 143–150 pdf
Dependence of workfunction on the geometries of single-walled carbon nanotubes
Chun-Wei Chen and Ming-Hsien Lee
Nanotechnology 15 (2004) 480–484 pdf
Insight into association reactions on metal surfaces: Density-functional theory
studies of hydrogenation reactions on Rh(111)
Zhi-Pan Liu and P. Hu, Ming-Hsien Lee
JOURNAL OF CHEMICAL PHYSICS VOLUME 119, 6282 (2003) pdf
Cation substitution effects on structural, electronic and optical properties
of nonlinear optical AgGa(SxSe1-x)2 crystals
L C Tang, MH Lee, C HYang, JY Huang and C S Chang
J. Phys.: Condens. Matter 15 (2003) 6043–6055 pdf
Resolution of an Ancient Surface Science Anomaly:Work Function Change Induced
by N Adsorption onW(100)
A. Michaelides, P. Hu, M.-H. Lee, A. Alavi, and D. A. King
PHYSICAL REVI EW LETT ERS 90, 246103 (2003) pdf
Mechanism for linear and nonlinear optical effects in crystals
of the Sr2Be2B2O7 family
Zheshuai Lin, Zhizhong Wang, and Chuangtian Chena, Shyong K. Chen and Ming-Hsien Lee
JOURNAL OF APPLIED PHYSICS 93, 9717 (2003) pdf
Density-Functional-Theory Calculation of Semiconducting Carbon
Nanotubes under an External Electric Field
Li-Gan Tiena, Tsong-Ming Liawb, Feng-Yin Li,
Sheng-Hsien Lind, Ming-Hsien Lee and Stewart Clark
Journal of the Chinese Chemical Society 50, 627-629 (2003) pdf
Mechanism of linear and nonlinear optical effects of KDP and urea crystals
Zheshuai Lin, Zhizhong Wang, and Chungtian Chen, Ming-Hsien Lee
JOURNAL OF CHEMICAL PHYSICS VOLUME 118, 2349 (2003) pdf
Mechanism for linear and nonlinear optical effects
in KBe2BO3F2 (KBBF) crystal
Zheshuai Lin, ZhizhongWang, Chuangtian Chen,
ShyongK. Chen, Ming-Hsien Lee
Chemical Physics Letters 367 (2003) 523–527 pdf
Ab initio calculations of dimensional and adsorbate effects on the workfunction
of single-walled carbon nanotube
Chun-Wei Chen, Ming-Hsien Lee
Diamond and Related Materials 12 (2003) 565–571 pdf
Mechanism for linear and nonlinear optical effects in SrBe3O4 crystal
Zheshuai Lin, Zhizhong Wang, Huatong Yang, and Chuangtian Chen, Ming-Hsien Lee
JOURNAL OF CHEMICAL PHYSICS 117, 2809 (2002) pdf
Mechanism for linear and nonlinear optical effects in monoclinic bismuth borate
(BiB3O6) crystal
Zheshuai Lin, Zhizhong Wang and Chuangtian Chen, Ming-Hsie Lee
JOURNAL OF APPLIED PHYSICS 90, 5585 (2001) pdf
A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111)
alloy surface: Comparison with the reactions on Pt(111) and Cu(111)
C. J. Zhang, R. J. Baxter, and P. Hu, A. Alavi, M.-H. Lee
JOURNAL OF CHEMICAL PHYSICS 115, 5272 (2001) pdf
Ab initio study of the structural and optical properties
of orthorhombic ternary nitride crystals
Jung Y Huang, L-C Tang and M H Lee
J. Phys.: Condens. Matter 13 (2001) 10417–10431 pdf
Structural Properties of Lanthanide and Actinide Compounds within
the Plane Wave Pseudopotential Approach
Chris J. Pickard and Bjorn Winkler, Roger K. Chen and M. C. Payne, M. H. Lee and J. S. Lin, J. A. White and V. Milman, David Vanderbilt
PHYSICAL REVIEW LETTERS 85, 5122 (2000) pdf
Structural relaxation and longitudinal dipole moment of SrTiO3(001)(1x1) surfaces
C. Cheng, K. Kunc, and M. H. Lee
PHYSICAL REVIEW B 62, 10409 (2000) pdf
To tal En ergy Cal cu la tions for Sil ane Dissociative Chemisorption onto
Si(100) and Si(111) Sur faces
Jyh-Shing Lin, Yu-Tzu Kuo,
Ji-Cheng Chen and Ming-Hsien Lee
Journal of the Chinese Chemical Society (2000) 47, 887-894 pdf
Mechanism for linear and nonlinear optical effects in LiB3O5, CsB3O5, and CsLiB6O10 crystals
Zheshuai Lin, Jiao Lin, Zhizhong Wang, and Chuangtian Chen, Ming-Hsien Lee
PHYSICAL REVIEW B 62, 1757 (2000) pdf
Density functional study of structural and electronic properties of
silane adsorbed Si(100) surface
J.S. Lin, Y.T. Kuo, M.-H. Lee, K.-H. Lee, J.C. Chen
Journal of Molecular Structure (Theochem) 496 (2000) 163–173 pdf
A density functional theory study on the interaction between
chemisorbed CO and S on Rh(111)
C.J. Zhang, P. Hu, M.-H. Lee
Surface Science 432 (1999) 305–315 pdf
Mechanism for linear and nonlinear optical effects in b-BaB2O4
crystals
Jiao Lin, Ming-Hsien Lee, Zhi-Ping Liu and Chuangtian Chen, Chris J. Pickard
PHYSICAL REVIEW B 60, 13380 (1999) pdf
Pressure-induced change of the stereochemical activity of a lone electron pair
Bjoern Winkler, Victor Milman, Ming-Hsien Lee
JOURNAL OF CHEMICAL PHYSICS 108, 5506 (1998) pdf
Ab initio diffusional potential energy surface for CO chemisorption on Pd{110}
at high coverage: Coupled translation and rotation
P. Hu, D. A. King, S. Crampin, M.-H. Lee, and M. C. Payne
J. Chem. Phys. 107, 8103, (1997) pdf
Distribution of tetrahedral and octahedral A1 sites in gamma
alumina
M.-H. Lee, Chi-Feng Cheng , Volker Heine, Jacek Klinowski
Chemical Physics Letters 265 (1997) 673-676 pdf
The GaAs(001)-(2x4) Surface: Structure, Chemistry, and Adsorbates
C. M. Goringe, L. J. Clark, M. H. Lee, M. C. Payne, I. Stich, J. A. White,
M. J. Gillan, and A. P. Sutton
J. Phys. Chem. B (1997), 101, 1498-1509 pdf
Site symmetry dependence of repulsive interactions between chemisorbed
oxygen atoms on Pt{100}-(1x1)
Q. Ge, P. Hu, and D. A. King, M.-H. Lee, J. A. White, and M. C. Payne
J. Chem. Phys. 106 (3), 1210 (1997) pdf
First-principles study of a tilt grain boundary in rutile
I. Dawson and P. D. Bristowe, M.-H. Lee, M. C. Payne, M. D. Segall, and J. A. White
PHYSICAL REVIEW B 54, 13727 (1996) pdf
Understanding the ctalytic behavior of zeolites : A first-principles study of the adsorption of methanol
Shan, R. ; Payne, M. C. ; Lee, M. H. ; Gale, J. D.
Science Vol.271, No.5254, 1395 (1996) pdf
On the Accuracy of the Total Energy Pseudopotential Scheme Applied to Small Molecules
V. Milman, M.-H. Lee
J. Phys. Chem. (1996), 100, 6093-6096 pdf
An ab initio approach to determining the parameters of the model Hamiltonian
H
Rouli Fu, M H Lee and M C Payne
J. Phys.: Condens. Matter 8 (1996) 2539–2548 pdf
Orbital mixing in CO chemisorption on transition metal surfaces
P. Hu, D.A. King, M.-H. Lee, M.C. Payne
Chemical Physics Letters 246 (1995) 73-78 pdf
Pressure-induced polymorphism in CuCl: An ab initio study
H-C. Hsueh; J. R. Maclean; G. Y. Guo; Lee, Ming-Hsien; S. J. Clark; G. J. Ackland;
J. Crain
Physical review. B, condensed matter v.51 n.18, 12216 (1995) pdf
Ab initio total-energy pseudopotential calculations for polymorphic B2O3 crystals
Akira Takada, C. R. A. Catlow and J. S. Lin, G. D. Price, M. H. Lee, V. Milman,
and M. C. Payne
Phys. Rev. B 51, 1447–1455 (1995) pdf
Ab Initio Total Energy Study of Brucite, Diaspore and Hypothetical Hydrous
Wadsleyite,
B. Winkler, V. Milman, B. Hennion, M. C. Payne, M. H. Lee, J. S. Lin
Phys. Chem. Min. 22, 461-467 (1995) pdf
Water chemisorption and reconstruction of the MgO surface
K. Refson, R. A. Wogelius, and D. G. Fraser, M. C. Payne, M. H. Lee, and V.
Milman
Phys. Rev. B 52, 10823–10826 (1995) pdf
Large-scale ab initio study of the binding and diffusion of a Ge adatom on
the Si(100) surface
V. Milman, D. E. Jesson, and S. J. Pennycook, M. C. Payne, M. H. Lee, and I.
Stich
Phys. Rev. B 50, 2663–2666 (1994) pdf
Ground-state properties of CoSi2 determined by a total-energy pseudopotential
method
V. Milman, M. H. Lee and M. C. Payne
Phys. Rev. B 49, 16300–16308 (1994) pdf
Free energy and entropy of diffusion by ab initio molecular dynamics: Alkali
ions in silicon
V. Milman, M. C. Payne, V. Heine, R. J. Needs, J. S. Lin, and M. H. Lee
Phys. Rev. Lett. 70, 2928–2931 (1993) pdf