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PUBLICATIONS

My manuscripts

• D. Le, A. Kara, P. Hyldgaard, S. Schröder, T.S. Rahman,
  Physisorption of nucleobases on graphene: reliability of a DFT-D approach
  To be submitted (in 2012).
  
  
• P. Hyldgaard,
  Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, universal density functional description, and nature of forces,
  Submitted to Phys. Rev. B (in 2011).
  cond-mat/1108.4536.
  
  
• T. Ive, K. Berland, M. Stattin, F. Fälth, P. Hyldgaard, A. Larson, and T.G. Andersson,
  Design and Fabrication of AlN/GaN heterostructures for intersubband Technology,
  Jpn. J. Appl. Phys. 51, 01AG07 (2012).
  
  
• K. Berland, P. Hyldgaard, and T.L. Einstein,
  Response of the Schockley suface state to an external field: A density functional study of Cu(111),
  Phys. Rev. B 85, 035427 (2012).
  Copyright (2012) by the American Physical Society.
  
  
• M. Stattin, K. Berland, P. Hyldgaard, A. Larson, and T.G. Andersson,
  Waveguides for Nitride Based Quantum Cascade lasers
  Phys. Stat. Sol. (C) 8, 2357 (2011).
  Special issue: International Workshop on Nitride Semiconductors (IWN2010).
  
  
• K. Lee, A. K. Kelkkanen, K. Berland, S. Andersson, D. C. Langreth, E. Schröder, Bengt I. Lundqvist, and P. Hyldgaard,
  Accurate H2 Physisorption Data on Cu(111) to Assess Validity of New Density Functional with Account of van der Waals Forces,
  Phys. Rev. B 84, 193408 (2011).
  Copyright (2011) by the American Physical Society.
  
  
• A. Bergvall, K. Berland, P. Hyldgaard, S. Kubakin, and T. Löfwander,
  Graphene Nanogap for Gate Tunable Quantum Coherent Single Molecule Electronics
  Phys. Rev. B 84, 155451 (2011).
  Copyright (2011) by the American Physical Society.
  
  
• K. Berland, T.G. Andersson, and P. Hyldgaard,
  Polarization-balanced design of AlN/GaN heterostructures: Application to double-barrier structures,
  Phys. Rev. B 84, 245313 (2011).
  Copyright (2011) by the American Physical Society.
  
  
• J. Wyrick, D.-H. Kim, D. Sun, Z .Cheng, W. Lu, Y. Zhu, K. Berland, Y.S. Kim, E. Rotenberg, M. Luo, P. Hyldgaard, T.L. Einstein, L. Bartels,
  Do two-dimensional "Noble Gas Atoms" Produce Molecular Honeycombs at a Metal Surface,
  Nano Letters 11, 2944 (2011).
  
  
• J. Rohrer, E. Ziambaras, and P. Hyldgaard,
  Relative stability of 6H-SiC(0001) surface terminations and formation of graphene overlayers by Si evaporation
  Submitted to Phys. Rev. B (in 2011).
  cond-mat/1102.2111.
  
  
• J. Rohrer and P. Hyldgaard,
  Stacking and band structure of van der Waals bonded graphane multilayers,
  Phys. Rev. B 83, 165423 (2011).
  Copyright (2011) by the American Physical Society.
  
  
• J. Rohrer and P. Hyldgaard
  Computational scheme for ab-initio predictions of chemical compositions interfaces realized by deposition growth,
  Comp. Phys. Commun. 182, 1814 (2011).
  cond-mat/1101.0894.
  
  
• K. Berland, Ø. Borck, and P. Hyldgaard
  van der Waals density functional calculations of binding in molecular crystals,
  Comp. Phys. Commun. 182, 1800 (2011).
  cond-mat/1007.3305.
  
  
• D. Sun, D.H. Kim, D. Le, Ø. Borck, K. Berland, K. Kim, W. Lu, M. Luo, Z. Cheng, T.L. Einstein, T.S. Rahman, P. Hyldgaard, and L. Bartels
  Effective Elastic Properties of a Molecular Monolayer at a Metal Surface,
  Phys. Rev. B 82, 201410(R) (2010).
  Copyright (2010) by the American Physical Society.
  
  
• J. Rohrer and P. Hyldgaard,
  Understanding adhesion at as-deposited interfaces from ab-initio thermodynamics of deposition growth: CVD alumina on titanium carbide ,
  J. Phys.:Condens. Matt. 22, 472001 (2010). Fast track publication.
  Copyright (2010) by IoP.
  Included on IoP Select.
  
  
• J. Rohrer and P. Hyldgaard
  Ab initio thermodynamics of deposition growth: surface terminations of CVD titanium carbide and nitride,
  Phys. Rev. B 82, 045415 (2010).
  Copyright (2009) by the American Physical Society.
  
  
• K. Berland, M. Stattin, R. Farivar, D.M.S. Sultan, P. Hyldgaard, A. Larsson, S. M. Wang, and T. Andersson,
  Temperature stability of intersubband transistions in AlN/GaN quantum wells,
  Appl. Phys. Lett. 97, 043507 (2010).
  cond-mat/1010.1215.
  
  
• K. Berland and P. Hyldgaard
  Structure and binding in crystals of cage-like molecules: hexamine and platonic hydrocarbons,
  J. Chem. Phys. 132, 134705 (2010).
  cond-mat/1010.1487.
  
  
• S.D. Chakarova-Käck, A. Vojvodic, J. Kleis, P. Hyldgaard, and E. Schröder
  Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory,
  New J. of Phys. 12, 013017 (2010).
  
  
• J. Rohrer, C. Ruberto, and P. Hyldgaard
  Ab initio structure modelling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina,
  J. Phys.: Condens. Matter 22, 015004 (2010).
  Copyright (2010) by IoP.
  (Also supplementary materials at the JPCM website and as a direct copy).
  
  
• K Berland, T.L. Einstein, and P. Hyldgaard
  Rings sliding on a honeycomb network: Adsorption contours, interactions, and assembly of benzene on Cu(111),
  Phys. Rev. B 80, 155431 (2009).
  Copyright (2009) by the American Physical Society.
  The article was selected to simultaneously appear in the October 26, 2009 issue of the AIP/APS Virtual Journal of Nanoscale Science & Technology.
  
  
• D.C. Langreth, B.I. Lundqvist, S.D. Chakarova-Käck, V.R. Cooper, M. Dion, P. Hyldgaard, A. Kelkkanen, J. Kleis, Lingzhu Kong, Shen Li, P.G. Moses, E. Murray, A. Puzder, H. Rydberg, E. Schröder, and T. Thonhauser,
  A density functional for sparse matter,
  Journal of Physics: Condensed Matter 21, 084203 (2009).
  Copyright (2009) by IoP.
  
  
• P. Hyldgaard,
  Density-functional theory of nonequilibrium tunneling,
  Phys. Rev. B 78, 165109 (2008).
  Copyright (2008) by the American Physical Society.
  
  
• R. Rurali, E. Wachowicz, P. Hyldgaard, and P. Ordejon
  Band bending and quasi-2DEG in the metallized beta-SiC(001) surface
  Physica Status Solidi (RRL) - Rapid Research Letters 2, 218 (2008).
  cond-mat/0809.0578.
  
  
• J. Kleis, E. Schröder, and P. Hyldgaard,
  Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results
  Phys. Rev. B 77, 205422 (2008).
  Copyright (2008) by the American Physical Society.
  The article was selected to simultaneously appear in the June 2, 2008 issue of the AIP/APS Virtual Journal of Nanoscale Science & Technology.
  
  
• J. Rohrer, A. Vojvodic, C. Ruberto, and P. Hyldgaard
  Coarse-grained model for growth of alpha- and kappa-Al2O3 on TiC and TiN(111): thin alumina films from density-functional calculations
  Journal of Physics: Conference Series 100, 082010 (2008).
  (Presented at IVC-17/ICSS-13 and ICN+T2007).
  
  
• S. Canovic, S. Ruppi, J. Rohrer, A. Vojvodic, C. Ruberto, P. Hyldgaard, and M. Halvarsson
  TEM and DFT investigation of CVD TiN/k-Al2O3 multilayer coatings
  Surface & Coatings Technology 202, 522 (2007).
  
  
• E. Ziambaras, J. Kleis, E. Schröder, and P. Hyldgaard
  Potassium intercalation in graphite: A van der Waals density-functional study
  Phys. Rev. B 76, 155425 (2007).
  Copyright (2007) by the American Physical Society.
  
  
• T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard, and D. C. Langreth
  Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
  Phys. Rev. B 76, 125112 (2007).
  Copyright (2007) by the American Physical Society.
  
  
• Ø. Borck, P. Hyldgaard, and E. Schröder
  Adsorption of methylamine on alpha-Al2O3(0001) and alpha-Cr2O3(0001): Density functional theory,
  Phys. Rev. B 75, 035403 (2007).
  Copyright (2007) by the American Physical Society.
  The article was selected to simultaneously appear in the January 15, 2007 issue of the AIP/APS Virtual Journal of Nanoscale Science & Technology.
  
  
• E. Ziambaras and P. Hyldgaard,
  Phonon Knudsen flow in nanostructured semiconductor systems,
  Journal of Applied Physics 99, 054303 (2006).
  cond-mat/0503701.
  
  
• E. Ziambaras and P. Hyldgaard,
  Thermal transport of SiC nanostructures,
  Materials Science and Engineering C 25, 635 (2005).
  cond-mat/0407122.
  
  
• E. Wachowizc, R. Rurali, P. Ordejon, and P. Hyldgaard,
  First stages of oxidation of the Si-rich 3C-SiC(001) surface,
  Computational Materials Science 33, 13 (2005).
  
  
• J. Kleis, P. Hyldgaard, and E. Schröder,
  van der Waals interaction of parallel polymers and nanotubes,
  Computational Materials Science 33, 192 (2005).
  cond-mat/0407107.
  
  
• P. Hyldgaard, N. Jacobson, C. Ruberto, B. Razaznejad, and B. I. Lundqvist,
  One-dimensional electron systems for anchoring growth of carbon nanostructures,
  Computational Materials Science 33, 356 (2005).
  
  
• P. Hyldgaard and T. L. Einstein,
  Interactions mediated by Surface States: From Pairs and Trios to Adchains and Ordered Overlayers,
  Journal of Crystal Growth 275, 1637 (2005).
  
  
• D. C. Langreth, M. Dion, H. Rydberg, E. Schröder, P. Hyldgaard, B. I. Lundqvist,
  Van der Waals Density Functional Theory with Applications
  International Journal of Quantum Chemistry 101, 599 (2005).
  preprint
  
  
• S. Fölsch, P. Hyldgaard, R. Koch. and K. H. Ploog,
  Quantum wire behavior in a one-component metallic system: monatomic Cu chains on Cu(111),
  Physica E 24, 111 (2004).
  
  
• P. Hyldgaard,
  Resonant thermal transport in semiconductor barrier structures,
  Phys. Rev. B, 69, 093305 (2004).
  Copyright (2004) by the American Physical Society.
  
  
• S. Foelsch, P. Hyldgaard, R. Koch, and K. H. Ploog
  Quantum confinement in monatomic Cu chains on Cu(111)
  Phys. Rev. Lett. 92, 056803 (2004).
  Copyright (2004) by the American Physical Society.
  
  
• R. Rurali, E. Wachowicz, P. Ordejon, P. Gonigon, J. Rebollo, P. Hyldgaard
  First-principles study of O adsorption at SiC surface
  Materials Science Forum 457, 1293 (2003).
  
  
• J. Repp, G. Meyer, K.-H. Rieder, P. Hyldgaard,
  Site determination and thermally assisted tunneling in homogeneous nucleation
  Phys. Rev. Lett. 91, 206102 (2003).
  Copyright (2003) by the American Physical Society.
  cond-mat/0309288.
  
  
• E. Schröder and P. Hyldgaard
  van der Waals Interactions of Parallel and Concentric Nanotubes,
  Materials Science and Engineering C 23, 721 (2003).
  cond-mat/0307017.
  
  
• H. Rydberg, M. Dion, N. Jacobson, E. Schröder, P. Hyldgaard, S. I. Simak, D. C. Langreth, B. I, Lundqvist,
  Van der Waals Density Functional for Layered Structures,
  Phys. Rev. Lett. 91, 126402 (2003).
  Copyright (2003) by the American Physical Society.
  
  
• B. Razaznejad, C. Ruberto, P. Hyldgaard and B. I. Lundqvist,
  Self-Organized One-Dimensional Electron Systems on a Low-Symmetry Oxide Surface
  Phys. Rev. Lett. 90, 236803 (2003).
  Copyright (2003) by the American Physical Society.
  This article was highlighted on the cover of the particular PRL issue.
  
  
• P. Hyldgaard and T. L. Einstein,
  Surface-State Mediated 3-Adsorbate Interactions: Exact & Numerical results and Simple Asymptotic Expression,
  Applied Surface Science 212-213, 856-860 (2003).
  (preprint).
  
  
• P. Hyldgaard,
  Control of Molecular excitations in nanotube-heterostructure transistors,
  Materials Science and Engineering C 23, 243 (2003).
  (preprint).
  
  
• E. Schröder and P. Hyldgaard,
  The van der Waals Interactions of Concentric Nanotubes,
  Surface Science 532-535, 880-885 (2003).
  (preprint).
  
  
• H. Rydberg, N. Jacobson, P. Hyldgaard, S. I. Simak, B. I. Lundqvist, and D. C. Langreth,
  Hard numbers on soft matter,
  Surface Science 532-535, 606-610 (2003).
  (preprint).
  
  
• P. Hyldgaard and T. L. Einstein,
  Surface-state mediated three-adsorbate interactions: electronic nature and nanoscale consequences ,
  Surface Science 532-535, 600-605 (2003).
  (preprint).
  
  
• B. Razaznejad, C. Ruberto, P. Hyldgaard, and B. I. Lundqvist,
  Hard materials prediction of a one-dimensional electron gas,
  Surface Science 532-535, 594-599 (2003).
  (preprint).
  
  
• P. Hyldgaard and T. L. Einstein,
  Surface-state mediated three-adsorbate interactions,
  Europhysics Letters 59, 265 (2002).
  Copyright (2002) by IoP.
  
  
• B. I. Lundqvist, A. Bogicevic, S. Dudiy, P. Hyldgaard, S. Ovesson, C. Ruberto, E. Schröder, G. Wahnström,
  Bridging between micro- and macroscales of materials by mesoscopic models,
  Computational Materials Science 24, 1 (2002).
  (preprint).
  
  
• N. Jacobson, B. Tegner, E. Schröder, P. Hyldgaard, and B. I. Lundqvist,
  Hydrogen dynamics in magnesium and graphite,
  Computational Materials Science 24, 273 (2002).
  (preprint).
  
  
• P. Hyldgaard and B. I. Lundqvist,
  Transport in robust fullerene-tube heterostructure transistor,
  Materials Science and Engineering C 19, 445 (2001).
  (preprint).
  
  
• B. I. Lundqvist, A. Bogicevic, K. Carling, S. V. Dudiy, S. Gao, J. Hardford, P. Hyldgaard, N. Jacobson, D. C. Landgreth,
  N. Lorente, S. Ovesson, B. Razaznejad, C. Ruberto, H. Rydberg, E. Schröder, S. I. Simak, G. Wahnström, and Y. Yourdshahyan,
  Density-functional bridge between surfaces and interfaces,
  Surface Science 493, 253 (2001).
  (preprint).
  
  
• E. Hult, P. Hyldgaard, J. Rossmeisl, and B. I. Lundqvist,
  Density-functional calculation of van der Waals forces for free-electron-like surfaces,
  Phys. Rev. B 64, 195414 (2001).
  Copyright (2001) by the American Physical Society.
  
  
• P. Hyldgaard,
  Low-temperature control of nanostructure molecular dynamics,
  Low Temperature Physics 27, 585 (2001).
  Postscript version with readable figures.
  
  
• P. Hyldgaard and B. I. Lundqvist,
  Robust nanosized transistor effect in fullerene-tube heterostructure,,
  Solid State Communications 116, 569 (2000).
  (Preprint).
  
  
• J. Repp, F. Moresco, G. Meyer, K.-H. Rieder, P. Hyldgaard and M. Persson,
  Substrate Mediated Long-Range Oscillatory Interaction between Adatoms: Cu/Cu(111),
  Phys. Rev. Lett. 85, 2981 (2000).
  Copyright (2000) by the American Physical Society.
  The article was highlighted as a Physical Review Focus story.
  
  
• A. Bogicevic, S. Ovesson, P. Hyldgaard, B. I. Lundqvist, H. Brune, and D. R. Jennison,
  Nature, Strength, and Consquences of Indirect Adsorbate Interactions on Metals,
  Phys. Rev. Lett. 85, 1910 (2000).
  Copyright (2000) by the American Physical Society.
  
  
• P. Hyldgaard and M. Persson,
  Long-ranged adsorbate-adsorbate interactions mediated by a surface-state band,,
  J. Phys.:Condens.Matter 12, L13 (2000).
  Copyright (2000) by IoP.
  
  
• A. Bogicevic, P. Hyldgaard, G. Wahnström, and B. I. Lundqvist,
  Al Dimer Dynamics on Al(111),
  Phys. Rev. Lett. 81, 172 (1998).
  Copyright (1998) by the American Physical Society.
  
  
• P. Hyldgaard, H. K. Harbury, and W. Porod,
  Electrostatic formation of coupled Si/SiO2 quantum dot systems,
  Computational Electronics, 1997, IWCE-5, VLSI design 8, 555 (1998).
  
  
• P. Hyldgaard and G. D. Mahan,
  Phonon superlattice transport,
  Phys. Rev. B 56, 10754(1997).
  Copyright (1997) by the American Physical Society.
  
  
• P. Hyldgaard and G. D. Mahan,
  Phonon Knudsen flow in AlAs/GaAs superlattices,
  in Thermal Conductivity 23 (Technomic Publishing Company, Inc.,
  Lancaster, Pennsylvania, 1996), pp. 172-182.
  Hard to locate original? Preprint in postscript format
  
  
• P. Hyldgaard and J. W. Wilkins,
  Electron-electron scattering in far-infrared quantum cascade lasers,
  Phys. Rev. B 53, 6889 (1996).
  Copyright (1996) by the American Physical Society.
  
  
• P. Hyldgaard, S. Hershfield, J. H. Davies, and J. W. Wilkins,
  Resonant-tunneling with an electron-phonon interaction,
  Annals of Physics 236, 1 (1994). Check link for a partial preprint
  
  
• J. H. Davies, S. Hershfield, P. Hyldgaard, and J. W. Wilkins,
  Current and rate equation for resonant tunneling,
  Phys. Rev. B 47, 4603 (1993).
  Copyright (1993) by the American Physical Society.
  
  
• S. Hershfield, J. H. Davies, P. Hyldgaard, C. J. Stanton, and J. W. Wilkins,
  Zero-frequency current noise for the double-tunnel-junction Coulomb blockade
  Phys. Rev. B 47, 1967 (1993).
  Copyright (1993) by the American Physical Society.
  
  
• J. H. Davies, P. Hyldgaard, S. Hershfield, and J. W. Wilkins,
  Classical theory of shot noise in resonant tunneling,
  Phys. Rev. B 46, 9620 (1992).
  Copyright (1992) by the American Physical Society.
  
  
• J. W. Wilkins, S. Hershfield, J. H. Davies, P. Hyldgaard, and C. J. Stanton,
  Noise as a Diagnostic of Tunneling Mechanisms, Physica Scripta T42, 115 (1992).
  
  
• P. Hyldgaard and A.-P. Jauho,
  Elastic and inelastic resonant tunneling in imperfect superlattice,
  NATO ASI Series B 251, 535 (1991).
  
  
• P. Hyldgaard and A.-P. Jauho,
  Elastic and inelastic resonant tunneling in narrow-band systems: applications to transport in minibands of semiconductor superlattices,
  J. Phys.: Condens. Matter 2, L8725 (1990).
  Copyright (1990) by IoP.
  
  
• P. Alstrøm, B. Christiansen, P. Hyldgaard, M. T. Levinsen, and R. Rasmussen,
  Scaling relations at the critical line and the period-doubling route for the sine map and the driven damped pendulum,
  Phys. Rev. A 34, 2220 (1986).
  Copyright (1986) by the American Physical Society.
  
  

My manuscripts

Reports and Theses

• P. Hyldgaard,
  Nonequilibrium electron-electron scattering in possible far
  infrared quantum cascade laser (Abstract), Ph.D. Thesis, Ohio State University, 1995.
  
  Please email me for a paper version OR download (postscript):
  
  
• Copyright plus TOC.
• Chapter I.
• Chapter II.
• Chapter III.
• Chapter IV.
• Chapter V.
• Appendix A.
• Bibliography.