Electronic structure and electrical conductivity of MgO protecting layer in plasma-display panels: A tight-binding quantum chemical study

Journal of the Society for Information Display

Volumn 15, Issue 5, 2007, Pages 307-313

  Miyamoto, Akira ^a   Kikuchi, Hiromi ^a   Onuma, Hiroaki ^a   Tsuboi, Hideyuki ^a   Koyama, Michihisa ^a   Hatakeyama, Nozomu ^a   Endou, Akira ^a   Takaba, Hiromitsu ^a   Kubo, Momoji ^a,b   Del Carpio, Carlos A ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Computational chemistry; Electrical conductivity simulator; MgO; Plasma display panel; Protecting layer; Si doping; Tight binding quantum chemical molecular dynamics program

Indexed keywords

BINDING ENERGY; CATHODOLUMINESCENCE; CHEMICAL ELEMENTS; CODES (SYMBOLS); CRYSTAL IMPURITIES; DISTRIBUTION FUNCTIONS; DYNAMICS; ELECTRIC CIRCUIT BREAKERS; ELECTRIC CONDUCTIVITY; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GALLIUM ALLOYS; MOLECULAR DYNAMICS; OXYGEN; PLASMA DISPLAY DEVICES; PLASMAS; PROBABILITY DENSITY FUNCTION; PROBABILITY DISTRIBUTIONS; QUANTUM CHEMISTRY; SILICON; SIZE DISTRIBUTION;

COMPUTATIONAL CHEMISTRY; ELECTRICAL CONDUCTIVITY SIMULATOR; MGO; PLASMA DISPLAY PANEL; PROTECTING LAYER; SI-DOPING; TIGHT-BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS PROGRAM;

CRYSTAL STRUCTURE;

EID: 54149084530     PISSN: 10710922     EISSN: None     Source Type: Journal    
DOI: 10.1889/1.2739800     Document Type: Conference Paper

References (25)

1. J P Boeuf, "Plasma display panels: Physics, recent developments and key issues," J Phys D: Appl Phys 36, R53-R79 (2003).
2. K Uetani, H Kajiyama, A Kato, A Takagi, I Tokomoto, Y Koizumi, K Nose, Y Ihara, K Onisawa, and T Minemura, "Ion-plating deposition of MgO thin films," Mater Trans 42, 411-413 (2001).
3. K Uetani, H Kajiyama, A Kato, A Takagi, T Hori, I Tokomoto, Y Koizumi, K Nose, Y Ihara, K Onisawa, and T Minemura, "Secondary electron emission characteristics of MgO thin films prepared by an advanced ion-plating method," Mater Trans 42, 1870-1873 (2001).
4. H Kajiyama, T Miyake, A Hidaka, A Imamura, M Kubo, K Sasata, T Yokosuka, T Kusagaya, A Endou, and A Miyamoto, "Electrical and mechanical properties of MgO protecting layer," Proc J Soc Info Display 11, 892-895 (2003).
5. Y Motoyama, Y Hirano, K Ishii, Y Murakami, and F Sato, "Influence of defect states on the secondary electron emission yield from MgO surface," J Appl Phys 95, 8419-8424 (2004).
6. R Kim, Y Kim, and J-W Park, "Improvement of secondary electron emission property of MgO protective layer for an alternating current plasma display panel by addition of TiO2," Thin Solid Films 376, 183-187 (2000).
7. T Yokosuka, K Sasata, H Kurokawa, S Takami, M Kubo, A Imamura, Y Kitahara, M Kanoh, and A Miyamoto, "A theoretical study on the realistic low concentration doping in silicon semiconductors by accelerated quantum chemical molecular dynamics method," Jpn J Appl Phys 42, 1877-1881 (2003).
8. M Elanany, P Selvam, T Yokosuka, S Takami, MKubo, A Imamura, and A Miyamoto, "A quantum molecular dynamics simulation study of the initial hydrolysis step in sol-gel process," J Phys Chem B 107, 1518-1524 (2003).
9. 2-δ," Chem Phys Lett 384, 30-34 (2004).
10. M Koyama, M Kubo, and A Miyamoto, "Large-scale calculations of solid oxide fuel cell cermet anode by tight-binding quantum chemistry study," Appl Surf Sci 244, 598-602 (2005).
11. R Ishimoto, C Jung, H Tsuboi, M Koyama, A Endou, M Kubo, C A Del Carpio, and A Miyamoto, "Periodic density functional and tight-binding quantum chemical molecular dynamics study of catalytic properties on γ-Al2O3 supported Pt catalyst," Appl Catal A 305, 64-69 (2006).
12. K-H Park and Y-S Kim, "Characteristics of doped MgO layer deposited under hydrogen atmosphere," Proc IMID/IDMC '06, 375-378 (2006).
13. C H Ha, J K Kim, and K W Whang, "Photon-induced surface conductivity measurement of MgO in an AC PDP," Proc IMID/IDMC '06, 130-133 (2006).
14. H Tsuboi, H Setogawa,MKoyama, A Endou,MKubo, C A Del Carpio, E Broclawik, and A Miyamoto, "Development of electrical conductivity estimation method based on tight-binding quantum chemical molecular dynamics simulation," Jpn J Appl Phys 45, 3137-3143 (2006).
15. A Suzuki, P Selvam, T Kusagaya, S Takami, M Kubo, A Imamura, and A Miyamoto, "Chemical reaction dynamics of PeCB and TCDD decomposition: A tight-binding quantum chemical molecular dynamics study with first-principles parameterization," Intl J Quantum Chem 102, 318-327 (2005).
16. G Velde, F M Bickelhaupt, E J Baerends, C F Guerra, S J van Gisbergen, J G Snijders, and T Ziegler, "Chemistry with ADF," J Comput Chem 22, 931-967 (2001).
17. B Delley, "An all-electron numerical method for solving the local density functional for polyatomic molecules," J ChemPhys 92, 508-517 (1990);
18. B Delley, "From molecules to solids with the DMol3 approach," J Chem Phys 113, 7756-7764 (2000).
19. J P Perdew, J Chevary, S H Vosko, K A Jackson, M R Pederson, D J Singh, and C Fiolhais, "Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation," Phys Rev B 46, 6671-6687 (1992).
20. P D Johnson, "Some optical properties of MgO in the vaccum ultraviolet," Phys Rev 94, 845-846 (1954).
21. D M Roessler and W C Walker, "Electronic spectrum and ultraviolet optical properties of crystalline MgO," Phys Rev 159, 733-738 (1967).
22. C Y Fong, W Saslow, and M L Cohen, "Pseudopotential calculation of the optical constants of MgO from 7-28 eV," Phys Rev 168, 992-999 (1968).
23. P Selvam, H Tsuboi, M Koyama, A Endou, H Takaba, M Kubo, C A Del Carpio, and A Miyamoto, "Computational chemistry for industrial innovation," Rev Chem Eng 22, 377-470 (2006).
24. M Howe-Grant, Encyclopedia of Chemical Technology (John Wiley & Sons, New York, 1997), 4th ed.
25. H Tsuboi, H Setogawa, C Arunabhirum, Z Zhu, C Lv, R Miura, M Koyama, A Endou, H Takaba, M Kubo, C A Del Carpio, and A Miyamoto, "Development of A thermal conductivity prediction simulator based on the combination of electron conduction and lattice vibration effects," Jpn J Appl Phys (accepted for publication).