Electronic properties and Schottky barriers at ZnO-metal interfaces from first principles

Journal of Physics Condensed Matter

Volumn 27, Issue 1, 2015, Pages

  D'Amico, N R ^a   Cantele, G ^a   Perroni, C A ^a   Ninno, D ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

First principles calculations; Interface bonding; Interface electronic states; Interface stability; Schottky barrier; ZnO interfaces

Indexed keywords

BONDING; CALCULATIONS; CHARGE TRANSFER; CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STATES; ELECTRONIC STRUCTURE; ENERGY GAP; METALS; OHMIC CONTACTS; QUANTUM CHEMISTRY; SCHOTTKY BARRIER DIODES; SEMICONDUCTOR METAL BOUNDARIES; ZINC OXIDE;

FIRST-PRINCIPLES CALCULATION; INTERFACE BONDING; INTERFACE ELECTRONICS; INTERFACE STABILITIES; SCHOTTKY BARRIERS; ZNO;

INTERFACE STATES;

EID: 84917691994     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/27/1/015006     Document Type: Article

References (96)

1. Medlin D and Snyder G 2009 Curr. Opin. Colloid Interface Sci. 14 226-35
2. Li J F, Liu W S, Zhao L D and Zhou M 2010 NPG Asia Mater. 2 152-8
3. Léonard F and Talin A A 2011 Nat. Nanotechnol. 6 773-83
4. Valitova I, Amato M, Mahvash F, Cantele G, Maffucci A, Santato C, Martel R and Cicoira F 2013 Nanoscale 5 4638
5. Borriello I, Cantele G and Ninno D 2012 Nanoscale 5 291
6. Steim R, Kogler F R and Brabec C J 2010 J. Mater. Chem. 20 2499-512
7. Boix P P, Nonomura K, Mathews N and Mhaisalkar S G 2014 Mater. Today 17 16-23
8. Gong J, Liang J and Sumathy K 2012 Renew. Sust. Energy Rev. 16 5848-60
9. Wöll C 2007 Prog. Surf. Sci. 82 55-120
10. Chen H M, Chen C K, Lin C C, Liu R S, Yang H, Chang W S, Chen K H, Chan T S, Lee J F and Tsai D P 2011 J. Phys. Chem. C 115 21971-80
11. Wang X, Summers C J and Wang Z L 2004 Nano Lett. 4 423-6
12. Wei A, Pan L and Huang W 2011 Mater. Sci. Eng. B 176 1409-21
13. Tang Z K, Wong G K L, Yu P, Kawasaki M, Ohtomo A, Koinuma H and Segawa Y 1998 Appl. Phys. Lett. 72 3270-2
14. Johnson J C, Yan H, Yang P and Saykally R J 2003 J. Phys. Chem. B 107 8816-28
15. Arnold M S, Avouris P, Pan Z W and Wang Z L 2003 J. Phys. Chem. B 107 659-63
16. Fan Z, Wang D, Chang P C, Tseng WY and Lu J G 2004 Appl. Phys. Lett. 85 5923-5
17. Pearton S, Norton D, Ip K, Heo Y and Steiner T 2005 Prog. Mater Sci. 50 293-340
18. Özgür Ü, Alivov Y I, Liu C, Teke A, Reshchikov M A, Doʇan S, Avrutin V, Cho S J and Morkoc¸ H 2005 J. Appl. Phys. 98 041301
19. Ghimire S, Di Chiara A D, Sistrunk E, Szafruga U B, Agostini P, Di Mauro L F and Reis D A 2011 Phys. Rev. Lett. 107 167407
20. Law M, Greene L E, Johnson J C, Saykally R and Yang P 2005 Nat. Mater. 4 455-9
21. White M S, Olson D C, Shaheen S E, Kopidakis N and Ginley D S 2006 Appl. Phys. Lett. 89 143517
22. Leschkies K S, Divakar R, Basu J, Enache-Pommer E, Boercker J E, Carter C B, Kortshagen U R, Norris D J and Aydil E S 2007 Nano Lett. 7 1793-8
23. Wen H C et al 2008 Microelectron. Eng. 85 2-8
24. Schaeffer J K, Fonseca L R C, Samavedam S B, Liang Y, Tobin P J and White B E 2004 Appl. Phys. Lett. 85 1826-8
25. Demkov A A 2006 Phys. Rev. B 74 085310
26. Dong Y and Brillson L 2008 J. Electron. Mater. 37 743-8
27. Knizhnik A A, Iskandarova I M, Bagatur'yants A A, Potapkin B V and Fonseca L R C 2005 J. Appl. Phys. 97 064911
28. Tse K Y and Robertson J 2007 Phys. Rev. Lett. 99 086805
29. Akasaka Y et al 2006 Japan. J. Appl. Phys. 45 L1289-92
30. Robertson J, Sharia O and Demkov A A 2007 Appl. Phys. Lett. 91 132912
31. Brillson L J and Lu Y 2011 J. Appl. Phys. 109 121301
32. Zaoui A 2004 Phys. Rev. B 69 115403
33. Meyer B and Marx D 2004 Phys. Rev. B 69 235420
34. Lin Z and Bristowe P D 2007 Phys. Rev. B 75 205423
35. Saito M, Wagner T, Richter G and Rühle M 2009 Phys. Rev. B 80 134110
36. Giannozzi P et al 2009 J. Phys.: Condens. Matter 21 395502
37. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865-8
38. Vanderbilt D 1990 Phys. Rev. B 41 7892-5
39. Mordecai A 2003 Nonlinear Programming: Analysis and Methods (New York: Dover)
40. Birch F 1978 J. Geophys. Res. 83 1257
41. Marzari N, Vanderbilt D, De Vita A and Payne M 1999 Phys. Rev. Lett. 82 3296-9
42. Singh-Miller N E and Marzari N 2009 Phys. Rev. B 80 235407
43. Saadi H and Hamad B 2008 J. Phys. Chem. Solids 69 2457-64
44. Ikehata H, Nagasako N, Furuta T, Fukumoto A, Miwa K and Saito T 2004 Phys. Rev. B 70 174113
45. Kittel C 1996 Introduction to Solid State Physics 7th edn (New York: Wiley)
46. Fisher E S and Renken C J 1964 Phys. Rev. 135 A482-94
47. Singh H P 1968 Acta Crystallogr. A 24 469-71
48. Methfessel M, Hennig D and Scheffler M 1992 Phys. Rev. B 46 4816-29
49. Fall C J, Binggeli N and Baldereschi A 1999 J. Phys.: Condens. Matter 11 2689
50. Leung T C, Kao C L, Su W S, Feng Y J and Chan C T 2003 Phys. Rev. B 68 195408
51. Rusu P C and Brocks G 2006 Phys. Rev. B: Condens. Matter 74 073414
52. Yamamoto M, Chan C T, Ho K M and Naito S 1996 Phys. Rev. B 54 14111-20
53. Monreal R C, Guillemot L and Esaulov V A 2003 J. Phys.: Condens. Matter 15 1165
54. Hansson G V and Flodström S A 1978 Phys. Rev. B 18 1572-85
55. Grepstad J, Gartland P and Slagsvold B 1976 Surf. Sci. 57 348-62
56. Hulse J, Küppers J, Wandelt K and Ertl G 1980 Appl. Surf. Sci. 6 453-63
57. Kubiak G D 1987 J. Vac. Sci. Technol. A 5 731-4
58. Salmerón M, Ferrer S, Jazzar M and Somorjai G A 1983 Phys. Rev. B 28 6758-65
59. Derry G N and Ji-Zhong Z 1989 Phys. Rev. B 39 1940-1
60. Strayer R, Mackie W and Swanson L 1973 Surf. Sci. 34 225-48
61. Eastman D E 1970 Phys. Rev. B 2 1-2
62. Michaelson H B 1977 J. Appl. Phys. 48 4729-33
63. Özgür Ü, Alivov Y I, Liu C, Teke A, Reshchikov M A, Doʇan S, Avrutin V, Cho S J and Morkoc¸ H 2005 J. Appl. Phys. 98 041301
64. Janotti A, Segev D and Van de Walle C G 2006 Phys. Rev. B 74 045202
65. Dong Y F, Wang S J, Feng Y P and Huan A C H 2006 Phys. Rev. B 73 045302
66. Calzolari A and Catellani A 2009 J. Phys. Chem. C 113 2896-902
67. D'Amico N R, Cantele G and Ninno D 2012 J. Phys. Chem. C 116 21391-400
68. Dulub O, Boatner L A and Diebold U 2002 Surf. Sci. 519 201-17
69. Lindsay R, Muryn C A, Michelangeli E and Thornton G 2004 Surf. Sci. 565 L283-7
70. Dulub O, Diebold U and Kresse G 2003 Phys. Rev. Lett. 90 016102
71. Ozawa K, Oba Y, Edamoto K, Higashiguchi M, Miura Y, Tanaka K, Shimada K, Namatame H and Taniguchi M 2009 Phys. Rev. B 79 075314
72. Yufei Z, Zhiyou G, Xiaoqi G, Dongxing C, Yunxiao D and Hongtao Z 2010 J. Semicond. 31 082001
73. Hameeuw K, Cantele G, Ninno D, Trani F and Iadonisi G 2006 J. Chem. Phys. 124 024708
74. Bengtsson L 1999 Phys. Rev. B 59 12301-4
75. Baldereschi A, Baroni S and Resta R 1988 Phys. Rev. Lett. 61 734-7
76. Colombo L, Resta R and Baroni S 1991 Phys. Rev. B 44 5572-9
77. D'Amico N R, Cantele G and Ninno D 2012 Appl. Phys. Lett. 101 14160
78. Borriello I, Cantele G, Ninno D, Iadonisi G, Cossi M and Barone V 2007 Phys. Rev. B 76 035430
79. Fall C J, Binggeli N and Baldereschi A 2002 Phys. Rev. B 66 075405
80. Sgiarovello C, Binggeli N and Baldereschi A 2004 Phys. Rev. B 69 035320
81. Marien J 1976 Phys. Status Solidi A 38-22 513
82. Peressi M, Binggeli N and Baldereschi A 1998 J. Phys. D: Appl. Phys. 31 1273
83. Franciosi A and de Walle C G V 1996 Surf. Sci. Rep. 25 1-140
84. Picozzi S, Profeta G, Continenza A, Massidda S and Freeman A J 2002 Phys. Rev. B 65 165316
85. Mrovec M, Albina J M, Meyer B and Elsässer C 2009 Phys. Rev. B 79 245121
86. Berthod C, Binggeli N and Baldereschi A 2003 Phys. Rev. B 68 085323
87. Tse K Y, Liu D and Robertson J 2010 Phys. Rev. B 81 035325
88. Mönch W 2004 Electronic Properties of Semiconductor Interfaces (Springer Series in Surface Sciences) (Berlin: Springer)
89. Tung R T 2001 Phys. Rev. B 64 205310
90. Tung R T 2000 Phys. Rev. Lett. 84 6078-81
91. Tung R T 2001 Mater. Sci. Eng. R 35 1-138
92. Robertson J and Falabretti B 2006 J. Appl. Phys. 100 014111
93. Bardeen J 1947 Phys. Rev. 71 717-27
94. Mönch W 1987 Phys. Rev. Lett. 58 1260-3
95. Robertson J 2013 J. Vac. Sci. Technol. A 31 050821
96. Winget P et al 2014 Adv. Mater. 26 4711-6