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1
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18744397196
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Atomically controlled interfaces for future nanoelectronics
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Pasquarello A., and Stoneham A.M. Atomically controlled interfaces for future nanoelectronics. J. Phys.: Condens. Matter 17 (2005) V1
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J. Phys.: Condens. Matter
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Pasquarello, A.1
Stoneham, A.M.2
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2
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0037171193
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Oxygen diffusion through the disordered oxide network during silicon oxidation
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Bongiorno A., and Pasquarello A. Oxygen diffusion through the disordered oxide network during silicon oxidation. Phys. Rev. Lett. 88 (2002) 125901
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Phys. Rev. Lett.
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Bongiorno, A.1
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6
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28844485135
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Self-trapped excitons in silicon dioxide: Mechanism and properties
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Ismail-Beigi S., and Louie S.G. Self-trapped excitons in silicon dioxide: Mechanism and properties. Phys. Rev. Lett. 95 (2005) 156401
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Ismail-Beigi, S.1
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7
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34249107377
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Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)
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Hedstrom M., Schindlmayr A., Schwarz G., and Scheffler M. Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110). Phys. Rev. Lett. 97 (2006) 226401
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Hedstrom, M.1
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4243943295
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Generalized gradient approximation made simple
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Perdew J., Burke K., and Ernzerhof M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77 (1996) 3865
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Rationale for mixing exact exchange with density functional approximations
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Perdew J., Burke K., and Ernzerhof M. Rationale for mixing exact exchange with density functional approximations. J. Chem. Phys. 105 (1996) 9982
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2: A consistent interpretation of trap assisted conduction direct electron injection and optical absorption experiments
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2: A consistent interpretation of trap assisted conduction direct electron injection and optical absorption experiments. Appl. Phys. Lett. 89 (2006) 262904
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11
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33847212058
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Band gaps and dielectric constants of amorphous hafnium silicates: A first principles study
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Broqvist P., and Pasquarello A. Band gaps and dielectric constants of amorphous hafnium silicates: A first principles study. Appl. Phys. Lett. 90 (2007) 082907
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Broqvist, P.1
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12
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4143083217
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A. Pasquarello, K. Laasonen, R. Car, C. Lee, D. Vanderbilt, Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K, Phys. Rev. Lett. 69 (1992) 1982; K. Laasonen, A. Pasquarello, R. Car, C. Lee, D. Vanderbilt, Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials, Phys. Rev. B 47 (1993) 10142; available from: www.quantum-espresso.org.
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13
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24944573869
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CPMD v311.1, Copyright IBM Corp. 1990-2006, Copyright MPI Festkörperforschung Suttgart 1997-2001; J. Hutter and A. Curioni, Car-Parrinello molecular dynamics on massively parallel computers, ChemPhysChem 6 (2005) 1788.
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14
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34249100594
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P. Broqvist and A. Pasquarello, unpublished.
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15
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34249018285
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Calc. cell parameters: a = 5.09 A, b = 5.12 A, and c = 5.34 A, and β = 99.61°. Exp. values: a = 5.12 A, b = 5.18 A, and c = 5.29 A, and β = 99.22° [J. Adam and M. D. Rogers, Acta Crystallogr. 12 (1959) 951].
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16
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33750581513
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2 thin films
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2 thin films. Appl. Surf. Sci. 253 (2006) 328
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Bridou, F.9
Ravet, M.-F.10
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18
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0032487957
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Interface structure between silicon and its oxide by first-principles molecular dynamics
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Pasquarello A., Hybertsen M.S., and Car R. Interface structure between silicon and its oxide by first-principles molecular dynamics. Nature 396 (1998) 58
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Pasquarello, A.1
Hybertsen, M.S.2
Car, R.3
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22
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0035872897
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High-κ gate dielectrics: Current status and materials properties considerations
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Wilk G.D., Wallace R.M., and Anthony J.M. High-κ gate dielectrics: Current status and materials properties considerations. J. Appl. Phys. 89 (2001) 5243
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Wilk, G.D.1
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