메뉴 건너뛰기




Volumn 118, Issue 19, 2014, Pages 10088-10096

Ab initio study of H2 associative desorption on ad-dimer reconstructed Si(001) and Ge(001)-(2×1) surfaces

Author keywords

[No Author keywords available]

Indexed keywords

GERMANIUM; SILICON;

EID: 84900829766     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp411903z     Document Type: Article
Times cited : (5)

References (46)
  • 1
    • 36449004659 scopus 로고
    • Nanoscale Patterning and Oxidation of H-passivated Si(100)-2×1 Surfaces with an Ultrahigh Vacuum Scanning Tunneling Microscope
    • Lyding, J. W.; Shen, T. C.; Hubacek, J. S.; Tucker, J. R.; Abeln, G. C. Nanoscale Patterning and Oxidation of H-passivated Si(100)-2×1 Surfaces with an Ultrahigh Vacuum Scanning Tunneling Microscope Appl. Phys. Lett. 1994, 64, 2010-2012
    • (1994) Appl. Phys. Lett. , vol.64 , pp. 2010-2012
    • Lyding, J.W.1    Shen, T.C.2    Hubacek, J.S.3    Tucker, J.R.4    Abeln, G.C.5
  • 2
    • 0027887558 scopus 로고
    • Silicon-Based Optoelectronics
    • Soref, R. A. Silicon-Based Optoelectronics Proc. IEEE 1993, 81, 1687-1706
    • (1993) Proc. IEEE , vol.81 , pp. 1687-1706
    • Soref, R.A.1
  • 5
    • 0000146350 scopus 로고    scopus 로고
    • Semiconductor Surface Reconstruction: The Structural Chemistry of Two-Dimensional Surface Compounds
    • Duke, C. B. Semiconductor Surface Reconstruction: The Structural Chemistry of Two-Dimensional Surface Compounds Chem. Rev. (Washington, DC, U.S.) 1996, 96, 1237-1259
    • (1996) Chem. Rev. (Washington, DC, U.S.) , vol.96 , pp. 1237-1259
    • Duke, C.B.1
  • 10
    • 0034225028 scopus 로고    scopus 로고
    • 2 with Si(001)-(2×1): Solution of the Barrier Puzzle
    • 2 with Si(001)-(2×1): Solution of the Barrier Puzzle Phys. Rev. Lett. 2000, 85, 618-621
    • (2000) Phys. Rev. Lett. , vol.85 , pp. 618-621
    • Zimmermann, F.M.1    Pan, X.2
  • 11
    • 0034668587 scopus 로고    scopus 로고
    • Highly Reactive Dissociative Adsorption of Hydrogen Molecules on Partially H-Covered Si(001) Surfaces: A Density-Functional Study
    • Pehlke, E. Highly Reactive Dissociative Adsorption of Hydrogen Molecules on Partially H-Covered Si(001) Surfaces: A Density-Functional Study Phys. Rev. B 2000, 62, 12932-12939
    • (2000) Phys. Rev. B , vol.62 , pp. 12932-12939
    • Pehlke, E.1
  • 12
    • 0034273165 scopus 로고    scopus 로고
    • An Experimental-Theoretical Study of the Behaviour of Hydrogen on the Si(001) Surface
    • Bowler, D. R.; Owen, J. H. G.; Goringe, C. M.; Miki, K.; Briggs, G. A. D. An Experimental-Theoretical Study of the Behaviour of Hydrogen on the Si(001) Surface J. Phys.: Condens. Matter 2000, 12, 7655-7670
    • (2000) J. Phys.: Condens. Matter , vol.12 , pp. 7655-7670
    • Bowler, D.R.1    Owen, J.H.G.2    Goringe, C.M.3    Miki, K.4    Briggs, G.A.D.5
  • 13
    • 0037165469 scopus 로고    scopus 로고
    • 2 Molecule on C, Si, and Ge(001) Surfaces
    • 2 Molecule on C, Si, and Ge(001) Surfaces J. Phys. Chem. B 2002, 106, 570-573
    • (2002) J. Phys. Chem. B , vol.106 , pp. 570-573
    • Okamoto, Y.1
  • 14
    • 31544435181 scopus 로고    scopus 로고
    • Study of Pathway of Hydrogen Migration and Desorption on SiGe(100) Surface Using Ab Initio Calculations
    • Chen, C. L.; Tsai, D. H.; Jiang, J. C. Study of Pathway of Hydrogen Migration and Desorption on SiGe(100) Surface Using Ab Initio Calculations Jpn. J. Appl. Phys. 2005, 44, 7625-7633
    • (2005) Jpn. J. Appl. Phys. , vol.44 , pp. 7625-7633
    • Chen, C.L.1    Tsai, D.H.2    Jiang, J.C.3
  • 15
    • 33751234965 scopus 로고    scopus 로고
    • Dissociative Adsorption of Molecular Hydrogen on Silicon Surfaces
    • Dürr, M.; Höfer, U. Dissociative Adsorption of Molecular Hydrogen on Silicon Surfaces Surf. Sci. Rep. 2006, 61, 465-526
    • (2006) Surf. Sci. Rep. , vol.61 , pp. 465-526
    • Dürr, M.1    Höfer, U.2
  • 16
    • 2642550044 scopus 로고    scopus 로고
    • A Density Functional Theory Study on the Effect of Ge Alloying on Hydrogen Desorption from SiGe Alloy Surfaces
    • Mui, C.; Bent, S. F.; Musgrave, C. B. A Density Functional Theory Study on the Effect of Ge Alloying on Hydrogen Desorption from SiGe Alloy Surfaces J. Phys. Chem. B 2004, 108, 6336-6350
    • (2004) J. Phys. Chem. B , vol.108 , pp. 6336-6350
    • Mui, C.1    Bent, S.F.2    Musgrave, C.B.3
  • 17
    • 0027656649 scopus 로고
    • The Effect of Germanium on the Desorption of Hydrogen from Si(100)
    • Ning, B. M. H.; Crowell, J. E. The Effect of Germanium on the Desorption of Hydrogen from Si(100) Surf. Sci. 1993, 295, 79-98
    • (1993) Surf. Sci. , vol.295 , pp. 79-98
    • Ning, B.M.H.1    Crowell, J.E.2
  • 18
    • 0027657215 scopus 로고
    • MIRIRS Studies of the Growth of Si and Si-Ge Alloys from Molecular Precursors
    • Wu, Y. M.; Baker, J.; Hamilton, P.; Nix, R. M. MIRIRS Studies of the Growth of Si and Si-Ge Alloys from Molecular Precursors Surf. Sci. 1993, 295, 133-142
    • (1993) Surf. Sci. , vol.295 , pp. 133-142
    • Wu, Y.M.1    Baker, J.2    Hamilton, P.3    Nix, R.M.4
  • 19
    • 0028416741 scopus 로고
    • Adsorption of Hydrogen and Disilane on Si(100) and SiGe Surfaces
    • Wu, Y. M.; Nix, R. M. Adsorption of Hydrogen and Disilane on Si(100) and SiGe Surfaces Surf. Sci. 1994, 306, 59-68
    • (1994) Surf. Sci. , vol.306 , pp. 59-68
    • Wu, Y.M.1    Nix, R.M.2
  • 20
    • 0030399580 scopus 로고    scopus 로고
    • Kinetics of Hydrogen Desorption from Germanium-Covered Si(100)
    • Russell, N. M.; Ekerdt, J. G. Kinetics of Hydrogen Desorption from Germanium-Covered Si(100) Surf. Sci. 1996, 369, 51-68
    • (1996) Surf. Sci. , vol.369 , pp. 51-68
    • Russell, N.M.1    Ekerdt, J.G.2
  • 21
    • 0006830190 scopus 로고    scopus 로고
    • Hydrogen Population on Ge-Covered Si(001) Surfaces
    • Angot, T.; Louis, P. Hydrogen Population on Ge-Covered Si(001) Surfaces Phys. Rev. B 1999, 60, 5938-5945
    • (1999) Phys. Rev. B , vol.60 , pp. 5938-5945
    • Angot, T.1    Louis, P.2
  • 24
    • 0001718817 scopus 로고    scopus 로고
    • Hydrogen Population on Ge-Covered Si(001) Surfaces
    • Kim, H.; Desjardins, P.; Abelson, J. R.; Greene, J. E. Hydrogen Population on Ge-Covered Si(001) Surfaces Phys. Rev. B 1998, 58, 4803-4808
    • (1998) Phys. Rev. B , vol.58 , pp. 4803-4808
    • Kim, H.1    Desjardins, P.2    Abelson, J.R.3    Greene, J.E.4
  • 26
    • 0003009474 scopus 로고    scopus 로고
    • Thermodynamically Driven Ge/Si Place Exchange Induced by Hydrogen on Ge-Covered Si(001) Surfaces
    • Angot, T.; Louis, P. Thermodynamically Driven Ge/Si Place Exchange Induced by Hydrogen on Ge-Covered Si(001) Surfaces Phys. Rev. B 2000, 61, 7293-7296
    • (2000) Phys. Rev. B , vol.61 , pp. 7293-7296
    • Angot, T.1    Louis, P.2
  • 27
    • 4244025486 scopus 로고    scopus 로고
    • Modification of Si(100) Substrate Bonding by Adsorbed Ge or Si Dimer Islands
    • Qin, X. R.; Liu, F.; Swartzentruber, B. S.; Lagally, M. G. Modification of Si(100) Substrate Bonding by Adsorbed Ge or Si Dimer Islands Phys. Rev. Lett. 1998, 81, 2288-2291
    • (1998) Phys. Rev. Lett. , vol.81 , pp. 2288-2291
    • Qin, X.R.1    Liu, F.2    Swartzentruber, B.S.3    Lagally, M.G.4
  • 28
    • 25544452706 scopus 로고
    • x(001) during Gas-Source Molecular-Beam Epitaxy and Ultrahigh-Vacuum Chemical Vapor Deposition
    • x(001) During Gas-Source Molecular-Beam Epitaxy and Ultrahigh-Vacuum Chemical Vapor Deposition Phys. Rev. B 1992, 45, R9485-R9488
    • (1992) Phys. Rev. B , vol.45
    • Höfer, U.1    Li, L.2    Heinz, T.F.3
  • 30
    • 0000063353 scopus 로고    scopus 로고
    • 2 Adsorption/Desorption from Si(100)-2×1
    • 2 Adsorption/Desorption from Si(100)-2×1 Phys. Rev. B 1996, 54, 11803-11817
    • (1996) Phys. Rev. B , vol.54 , pp. 11803-11817
    • Radeke, M.R.1    Carter, E.A.2
  • 31
    • 0001579431 scopus 로고
    • 2 Desorption from Si(100)-2×1:H
    • 2 Desorption from Si(100)-2×1:H J. Chem. Phys. 1995, 102, 3867-3872
    • (1995) J. Chem. Phys. , vol.102 , pp. 3867-3872
    • Jing, Z.1    Whitten, J.L.2
  • 33
    • 0037542513 scopus 로고    scopus 로고
    • Formation of Clean Dimers during Gas-Source Growth of Si(001)
    • Bowler, D. R. Formation of Clean Dimers During Gas-Source Growth of Si(001) Phys. Rev. B 2003, 67, 115341
    • (2003) Phys. Rev. B , vol.67 , pp. 115341
    • Bowler, D.R.1
  • 34
    • 0037799714 scopus 로고    scopus 로고
    • Hybrid Functionals Based on a Screened Coulomb Potential
    • Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Hybrid Functionals Based on a Screened Coulomb Potential J. Chem. Phys. 2003, 118, 8207-8215
    • (2003) J. Chem. Phys. , vol.118 , pp. 8207-8215
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 35
    • 0037717409 scopus 로고    scopus 로고
    • Structure Sensitive Reaction Channels of Molecular Hydrogen on Silicon Surfaces
    • Dürr, M.; Raschke, M. B.; Pehlke, E.; Höfer, U. Structure Sensitive Reaction Channels of Molecular Hydrogen on Silicon Surfaces Phys. Rev. Lett. 2001, 86, 123-126
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 123-126
    • Dürr, M.1    Raschke, M.B.2    Pehlke, E.3    Höfer, U.4
  • 36
    • 50149093649 scopus 로고    scopus 로고
    • Ab-Initio Simulations of Materials Using VASP: Density-Functional Theory and beyond
    • Hafner, J. Ab-Initio Simulations of Materials Using VASP: Density-Functional Theory and Beyond J. Comput. Chem. 2008, 29, 2044-2078
    • (2008) J. Comput. Chem. , vol.29 , pp. 2044-2078
    • Hafner, J.1
  • 37
    • 34347343976 scopus 로고    scopus 로고
    • Structural and Electronic Properties of Lead Chalcogenides from First Principles
    • Hummer, K.; Gruneis, A.; Kresse, G. Structural and Electronic Properties of Lead Chalcogenides from First Principles Phys. Rev. B 2007, 75, 195211
    • (2007) Phys. Rev. B , vol.75 , pp. 195211
    • Hummer, K.1    Gruneis, A.2    Kresse, G.3
  • 38
    • 12844286241 scopus 로고
    • Ab Initio Molecular Dynamics for Liquid Metals
    • Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B 1993, 47, 558-561
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 39
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 40
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 43
    • 0034513054 scopus 로고    scopus 로고
    • A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths
    • Henkelman, G.; Uberuaga, B. P.; Jónsson, H. A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths J. Chem. Phys. 2000, 113, 9901-9904
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jónsson, H.3
  • 44
    • 31544440169 scopus 로고    scopus 로고
    • 2 Associative Desorption from Ni(111): Could Subsurface Hydrogen Play an Important Role?
    • 2 Associative Desorption from Ni(111): Could Subsurface Hydrogen Play an Important Role? J. Chem. Phys. 2006, 124, 044706
    • (2006) J. Chem. Phys. , vol.124 , pp. 044706
    • Henkelman, G.1    Arnaldsson, A.2    Jónsson, H.3
  • 45
    • 1842816907 scopus 로고
    • Special Points for Brillouin-Zone Integrations
    • Monkhorst, H. K.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.K.1    Pack, J.D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.