First-principles materials applications and design of nonlinear optical crystals

Journal of Physics D: Applied Physics

Volumn 47, Issue 25, 2014, Pages

  Lin, Zheshuai ^a   Jiang, Xingxing ^a,c   Kang, Lei ^a,c   Gong, Pifu ^a,c   Luo, Siyang ^a   Lee, Ming Hsien ^b  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b TAMKANG UNIVERSITY   (Taiwan)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

first principles studies; molecular engineering design; nonlinear optical crystals; structureproperty relation

Indexed keywords

PHYSICS;

AB INITIO APPROACH; FIRST-PRINCIPLES STUDY; INTRINSIC MECHANISMS; LASER TECHNOLOGIES; MOLECULAR ENGINEERING; NONLINEAR OPTICAL CRYSTAL; STRUCTURE PROPERTY RELATION; STRUCTURE PROPERTY RELATIONSHIPS;

DESIGN;

EID: 84901992288     PISSN: 00223727     EISSN: 13616463     Source Type: Journal    
DOI: 10.1088/0022-3727/47/25/253001     Document Type: Review

References (125)

1. Franken P A, Weinreich G, Peters C W and Hill A E 1961 Phys. Rev. Lett. 7 118-9
2. Savage N 2007 Nature Photon. 1 83-5
3. Cyranoaki D 2009 Nature 457 953-5
4. Xu Y M et al 2011 Nature Phys. 7 198-202
5. Zhang W T et al 2008 Phys. Rev. Lett. 100 107002-5 (Pubitemid 351399166)
6. Chai B H T 1995 Optical crystal CRC Handbook of Laser Science and Technology, Supplement 2: Optical Materials ed M J Weber (Boca Raton, FL: CRC Press) pp 3-65
7. Burland D M, Miller R D and Walsh C A 1994 Chem. Rev. 94 31-75
8. Jundt D 2009 Nonlinear optical crystals for use in consumer laser projection displays (IEEE Photonics Society Santa Calra Valley Chapter)
9. Lin X, Zhang G and Ye N 2009 Cryst. Growth Des. 9 1186-9
10. Zhang G, Qin J G, Liu T, Li Y J, Wu Y C and Chen C T 2009 Appl. Phys. Lett. 95 261104
11. Bera T K, Jang J I, Song J H, Malliakas C D, Freeman A J, Ketterson J B and Kanatzidis M G 2010 J. Am. Chem. Soc. 132 3484-95
12. Wang S, Ye N, Li W and Zhao D 2010 J. Am. Chem. Soc. 132 8779-86
13. Zhang W L, Cheng W D, Zhang H, Geng L, Lin C S and He Z Z 2010 J. Am. Chem. Soc. 132 1508-9
14. Huang H, Yao J, Lin Z, Wang X, He R, Yao W, Zhai N and Chen C 2011 Angew. Chem. Int. Edn Engl. 50 9141-4
15. Wang S C and Ye N 2011 J. Am. Chem. Soc. 133 11458-61
16. Zou G, Ye N, Huang L and Lin X 2011 J. Am. Chem. Soc. 133 20001-7
17. Zhang G et al 2012 J. Am. Chem. Soc. 134 14818-22
18. Boyd R W 2008 Nonlinear Optics (New York: Academic)
19. Zondy J J 1998 Opt. Commun. 149 181-206
20. Fejer M M, Magel G A, Jundt D H and Byer R L 1992 IEEE J. Quantum Electron. 28 2631-54
21. Baudrier-Raybaut M, Haidar R, Kupecek P, Lemasson P and Rosencher E 2004 Nature 432 374-6 (Pubitemid 39551667)
22. Zhang X, Wang L, Wang X, Wang G, Zhu Y and Chen C 2012 Opt. Commun. 285 4519-22
23. Chen C T, Ye N, Lin J, Jiang J, Zeng W R and Wu B C 1999 Adv. Mater. 11 1071-8
24. Miller R C 1964 Appl. Phys. Lett. 5 17-9
25. Kurtz S K and Robinson F N H 1967 Appl. Phys. Lett. 10 62-5
26. Garrett C G B and Robinson F N H 1966 IEEE J. Quantum Electron. QE-2 328-9
27. Garrett C G B 1968 IEEE J. Quantum Electron QE-4 70-84
28. Jeggo C R and Boyd G D 1970 J. Appl. Phys. 41 2741-3
29. Bergman J G and Crane G R 1974 J. Chem. Phys. 60 2470-4
30. Levine B F 1969 Phys. Rev. Lett. 22 787-90
31. Levine B F 1970 Phys. Rev. Lett. 25 440-3
32. Levine B F 1973 Phys. Rev. B 7 2600-26
33. Chen C T 1993 Development of new NLO crystals in the borate series Laser Science and Technology, An International Handbook vol 15 ed V S Letokhov et al (Chur, Switzerland: Harwood) chapter 1
34. Chen C, Lin Z and Wang Z 2005 Appl. Phys. B 80 1-25 (Pubitemid 40003029)
35. Huang Y Z, Wu L M, Wu X T, Li L H, Chen L and Zhang Y F 2010 J. Am. Chem. Soc. 132 12788-9
36. Kong F, Huang S P, Sun Z M, Mao J G and Cheng W D 2006 J. Am. Chem. Soc. 128 7750-1 (Pubitemid 43945713)
37. Wu H P, Yu H W, Yang Z H, Hou X L, Su X and Pan S L 2013 J. Am. Chem. Soc. 135 4215-8
38. Kohn W 1999 Rev. Mod. Phys. 71 1253-66
39. Martin R M 2005 Electronic Structure: Basic Theory and Practical Methods (Cambridge: Cambridge University)
40. Tozer D J, Amos R D, Handy N C, Roos B O and Serrano-Andres L 1999 Mol. Phys. 97 859-68
41. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133-8
42. Perdew J P and Wang Y 1986 Phys. Rev. B 33 8800-2
43. Wang C S and Klein B M 1981 Phys. Rev. B 24 3417-29
44. Seidl A, Gorling A, Vogl P, Majewski J A and Levy M 1996 Phys. Rev. B 53 3764-74
45. Becke A D 1993 J. Chem. Phys. 98 5648-52
46. Ernzerhof M and Scuseria G E 1999 J. Chem. Phys. 110 5029-36
47. Lin Z S, Kang L, Zheng T, He R, Huang H and Chen C T 2012 Comput. Mater. Sci. 60 99-104
48. Kang L, Ramo D M, Lin Z S, Bristowe P D, Qin J G and Chen C T 2013 J. Mater. Chem. C 1 7363-70
49. Palik E D 1985 Handbook of Optical Constants of Solids (New York: Academic)
50. Rashkeev S N, Lambrecht W R L and Segall B 1998 Phys. Rev. B 57 3905-19
51. Lin J, Lee M H, Liu Z P, Chen C T and Pickard C J 1999 Phys. Rev. B 60 13380-9
52. Li C S and Lee M H 2010 Methodology of calculating NLO properties of materials: improving a SHG code and implementing a THG code Master Degree Thesis Tamkang University
53. Godby R W, Schluter M and Sham L J 1988 Phys. Rev. B 37 10159-75
54. Payne M C, Teter M P, Allan D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045-97
55. Clark S J, Segall M D, Pickard C J, Hasnip P J, Probert M J, Refson K and Payne M C 2005 Z. Kristallogr. 220 567-70 (Pubitemid 40778242)
56. Lee M H, Lin J S, Payne M C, Heine V, Milman V and Crampin S 2005 Ψ 67 (February) Highlights
57. Kleinman L and Bylander D M 1982 Phys. Rev. Lett. 48 1425-8
58. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188-92
59. Lin Z S, Lin J, Wang Z Z, Chen C T and Lee M H 2000 Phys. Rev. B 62 1757-64
60. Kang L, Luo S, Huang H, Zheng T, Lin Z S and Chen C T 2012 J. Phys.: Condens. Matter 24 335503
61. Lin Z S, Wang Z Z, Chen C T, Chen S K Y and Lee M H 2003 J. Appl. Phys. 93 9717-23
62. Huang H, Lin Z S, Bai L, Hu Z G and Chen C T 2009 J. Appl. Phys. 106 103107
63. Lin Z S, Wang Z Z, Chen C T and Lee M H 2001 J. Appl. Phys. 90 5585-90
64. He R, Lin Z S, Lee M H and Chen C T 2011 J. Appl. Phys. 109 103510
65. Bai L, Lin Z S, Wang Z Z, Chen C T and Lee M H 2004 J. Chem. Phys. 120 8772-8
66. Bai L, Lin Z S, Wang Z Z and Chen C T 2008 J. Appl. Phys. 103 083111 (Pubitemid 351623503)
67. Xiong C, Pernice W, Sun X K, Schuck C, Fong K Y and Tang H X 2012 New J. Phys. 14 095014
68. Xiong C, Pernice W, Ryu K, Schuck C, Fong K, Palacios T and Tang H X 2011 Opt. Express 19 10464-70
69. Rivoire K, Lin Z L, Hatami F, Masselink T and Vuckovic J 2009 Opt. Express 17 22609-15
70. Hughes L P, Wang Y and Sipe J E 1997 Phys. Rev. B 55 13630-40
71. Lo C H and Lee M H 2004 The role of electron lone-pair in the optical nonlinearity of oxide, nitride and halide crystals Master Degree Thesis Tamkang University
72. He R, Huang H W, Kang L, Yao W J, Jiang X X, Lin Z S, Qin J G and Chen C T 2013 Appl. Phys. Lett. 102 231904
73. Chen C T, Wu B C, Jiang A D and You G M 1985 Sci. Sin. B 28 235-43
74. Chen C T, Wu Y C, Jiang A D, You G M, Li R K and Lin S J 1989 J. Opt. Soc. Am. B 6 616-21
75. Wu Y C, Sasaki T, Nakai S, Yokotani A, Tang H G and Chen C T 1993 Appl. Phys. Lett. 62 2614-5
76. Mori Y, Kuroda I, Nakajima S, Sasaki T and Nakai S 1995 Appl. Phys. Lett. 67 1818-20
77. Tu J M and Keszler D A 1995 Mater. Res. Bull. 30 209-15
78. Chen C T, Wang Y B, Xia Y N, Wu B C, Tang O Y, Wu K, Zeng W and Yu L H 1995 J. Appl. Phys. 77 2268-72
79. Chen C T, Luo S Y, Wang X Y, Wang G L, Wen X H, Wu H X, Zhang X and Xu Z Y 2009 J. Opt. Soc. Am. B 26 1519-25
80. Huang H, Chen C, Wang X, Zhu Y, Wang G, Zhang X, Wang L and Yao J 2011 J. Opt. Soc. Am. B 28 2186-90
81. Chen C T, Wang Y B, Wu B C, Wu K C, Zeng W L and Yu L H 1995 Nature 374 322-4
82. Hu Z G, Higashiyama T, Yoshimura M, Yap Y K, Mori Y and Sasaki T 1998 Japan. J. Appl. Phys. 37 L1093-4
83. Ye N, Zeng W R, Wu B C, Huang X Y and Chen C T 1998 Z. Kristallogr.-New Cryst. Struct. 213 452
84. Hu Z G, Yoshimura M, Muramatsu K, Mori Y and Sasaki T 2002 Japan. J. Appl. Phys. 41 L1131-3
85. Hellwig H, Liebertz J and Bohaty L 1999 Solid State Commun. 109 249-51
86. Hellwig H, Liebertz J and Bohaty L 2000 J. Appl. Phys. 88 240-4
87. Jung S T, Choi D Y and Chung S J 1996 Mater. Res. Bull. 31 1007-10 (Pubitemid 126405308)
88. Halasyamani P S 2004 Chem. Mater. 16 3586-92
89. Boyd G D, Nassau K, Miller R C, Bond W L and Savage A 1964 Appl. Phys. Lett. 5 234-6
90. Cohen R E and Krakauer H 1990 Phys. Rev. B 42 6416-23
91. Isaenko L, Vasilyevva I, Merkulev A, Yelisseyev A and Lobanov L 2005 J. Cryst. Growth 275 217 (Pubitemid 40421046)
92. Isaenko L, Krinitsin P, Vedenyapin V, Yelisseyev A, Merkulev A, Zondy J J and Petrov V 2005 Cryst. Growth Des. 5 1325-9 (Pubitemid 41032646)
93. Abrahams S C and Bernstein J L 1973 J. Chem. Phys. 59 1625-9
94. Hahn H, Frank G, Klingler W and Meyer A D 1953 Z. Anorg. Allg. Chem. 271 153-70
95. Kistaiah P, Venudar Y C, Murthy K S, Iyengar L and Krishna K V 1981 J. Appl. Crystallogr. 14 281-4
96. Lee M H, Yang C H and Jan J H 2004 Phys. Rev. B 70 235110 (Pubitemid 40270727)
97. Stadele M, Moukara M, Majewski J A and Vogl P 1999 Phys. Rev. B 59 10031-43
98. Tao J M and Perdew J P 2003 Phys. Rev. Lett. 91 146401
99. Runge E and Gross E K U 1984 Phys. Rev. Lett. 52 997-1000
100. Chan M K Y and Ceder G 2010 Phys. Rev. Lett. 105 196403
101. He R, Lin Z S, Zheng T, Huang H and Chen C T 2012 J. Phys. Condens. Matter 24 145503 An alternative method can be seen in [118]
102. Okeeffe M and Brese N E 1992 Acta Crystallogr. B 48 152-4
103. Huang H W, Yao J Y, Lin Z S, Wang X Y, He R, Yao W J, Zhai N and Chen C T 2011 Chem. Mater. 23 5457-63
104. Yan X, Luo S Y, Lin Z S, Yao J Y, He Ran, Yue Y C and Chen C T 2014 Inorg. Chem. 53 1952-4
105. Meng X Y, Wen X H and Liu G L 2008 J. Korean Phys. Soc. 52 1277-80
106. Lin Z S, Wang Z Z, Chen C T, Wu I P and Lee M H 2004 Chem. Phys. Lett. 399 125-9 (Pubitemid 40017592)
107. ICSD 2012-1, Version 1.8.2, by Fachinformatiionszentrum Karlsruhe, Germany
108. Kang L, Luo S Y, Huang H W, Ye N, Lin Z S, Qin J G and Chen C T 2013 J. Phys. Chem. C 117 25684-92
109. Kang L, Lin Z S, Qin J G and Chen C T 2013 Sci. Rep. 3 1366
110. Okorogu A O, Mirov S B, Lee W, Crouthamel D I, Jenkins N, Dergachev A Y, Vodopyanov K L and Badikov V V 1998 Opt. Commun. 155 307-12
111. Boyd G D, Storz F G, Mcfee J H and Kasper H M 1972 IEEE J. Quantum Electron. 8 900-8
112. Boyd G D, Buehler E and Storz F G 1971 Appl. Phys. Lett. 18 301-4
113. Isaenko L, Yelisseyev A, Lobanov S, Titov A, Petrov V, Zondy J J, Krinitsin P, Merkulov A, Vedenyapin V and Smirnova J 2003 Cryst. Res. Technol. 38 379-387
114. Tang L C, Huang J Y, Chang C S, Lee M H and Liu L Q 2005 J. Phys.: Condens. Matter 17 7275-86 (Pubitemid 41605869)
115. Ren P, Qin J G and Chen C T 2003 Inorg. Chem. 42 8-10
116. Zhang G, Qin J G, Liu T, Zhu T X, Fu P Z, Wu Y C and Chen C T 2008 Cryst. Growth Des. 8 2946-9
117. Zhang G, Liu T, Zhu T X, Qin J G, Wu Y C and Chen C T 2008 Opt. Mater. 31 110-3
118. Liu T, Qin J, Zhang G, Zhu T, Niu F, Wu Y and Chen C 2008 Appl. Phys. Lett. 93 091102
119. Huang Y, Meng X G, Kang L, Li Y J, Zhong C, Lin Z S, Chen X G and Qin J G 2013 CrystEngComm 15 4196-200
120. Yelisseyev A, Lin Z S, Starikova M, Isaenko L and Lobanov S 2012 J. Appl. Phys. 111 113507
121. Lin Z S, Bai L, Liu J, Lee M H, Xu J, Wang X Y and Chen C T 2011 J. Appl. Phys. 107 073721
122. Lin Z S, Xu L F, Liu L J, Xu J, Lee M H and Chen C T 2010 Phys. Rev. B 82 035124
123. Lin Z S, Xu L F, Li R K, Wang Z Z, Chen C T, Lee M H, Wang E G and Wang D S 2004 Phys. Rev. B 70 233104 (Pubitemid 40270690)
124. Chen C T et al 2012 Nonlinear Optical Borate Crystals (Germany: Wiley)
125. The Materials Genome www.materialsgenome.org