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Publications of Volker Blum    :chronological  alphabetical  combined  bibtex listing:

Preprints

  1. Baldauf, C; Ropo, M; Blum, V; Scheffler, M, How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides, Aip Conference Proceedings, vol. 1618 (October, 2014), pp. 119-120, AIP Publishing LLC, ISSN 0094-243X, ISBN 9780735412552 [doi]  [abs]
  2. Baldauf, C; Schubert, F; Pagel, K; Warnke, S; Rossi, M; Salwiczek, M; Koksch, B; von Helden, G; Blum, V, Is there a Beta-Peptide Equivalent of the Alpha-Helix?, Biophysical Journal, vol. 106 no. 2 (January, 2014), pp. 654a-654a, Elsevier BV, ISSN 0006-3495 [Gateway.cgi], [doi]
  3. Blum, V, Materials and nanostructures, the all-electron way: FHI-aims, Abstracts of Papers of the American Chemical Society, vol. 246 (September, 2013), pp. 1 pages, AMER CHEMICAL SOC, ISSN 0065-7727 [Gateway.cgi]
  4. Schubert, F; Rossi, M; Baldauf, C; Blum, V; Scheffler, M, How a Simple Sequence Change Induces Antipodal Folding Characteristics: Ac-Ala19-Lys + H+ Vs. Ac-Lys-Ala19 + H+, Biophysical Journal, vol. 104 no. 2 (January, 2013), pp. 55a-55a, Elsevier BV, ISSN 0006-3495 [Gateway.cgi], [doi]
  5. Rossi, M; Chutia, S; Blum, V, Benchmarking the Water-Peptide Interaction, Biophysical Journal, vol. 104 no. 2 (January, 2013), pp. 68a-68a, Elsevier BV, ISSN 0006-3495 [Gateway.cgi], [doi]
  6. Baldauf, C; Pagel, K; Warnke, S; von Helden, G; Meijer, G; Koksch, B; Blum, V; Scheffler, M, Local Conformational Preferences of Peptides Near Attached Cations: Structure Determination by First-Principles Theory and IR-Spectroscopy, Biophysical Journal, vol. 102 no. 3 (January, 2012), pp. 46a-46a, Elsevier BV, ISSN 0006-3495 [Gateway.cgi], [doi]
  7. Blum, V, Affordable, accurate all-electron theory of large molecular and surface systems: Pushing some first-principles computational limits, Abstracts of Papers of the American Chemical Society, vol. 242 (August, 2011), pp. 1 pages, AMER CHEMICAL SOC, ISSN 0065-7727 [Gateway.cgi]

Journal Articles

  1. Jana, MK; Song, R; Xie, Y; Zhao, R; Sercel, PC; Blum, V; Mitzi, DB, Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites., Nature Communications, vol. 12 no. 1 (August, 2021), pp. 4982 [doi]  [abs]
  2. Liu, C; Huhn, W; Du, K-Z; Vazquez-Mayagoitia, A; Dirkes, D; You, W; Kanai, Y; Mitzi, DB; Blum, V, Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites., Physical Review Letters, vol. 121 no. 14 (October, 2018), pp. 146401 [doi]  [abs]
  3. Wessler, GC; Zhu, T; Sun, JP; Harrell, A; Huhn, WP; Blum, V; Mitzi, DB, Band Gap Tailoring and Structure-Composition Relationship within the Alloyed Semiconductor Cu2BaGe1- xSnxSe4, Chemistry of Materials, vol. 30 no. 18 (September, 2018), pp. 6566-6574, American Chemical Society (ACS) [doi]  [abs]
  4. Lazauskas, T; Sokol, AA; Buckeridge, J; Catlow, CRA; Escher, SGET; Farrow, MR; Mora-Fonz, D; Blum, VW; Phaahla, TM; Chauke, HR; Ngoepe, PE; Woodley, SM, Thermodynamically accessible titanium clusters TiN, N = 2-32., Physical Chemistry Chemical Physics : Pccp, vol. 20 no. 20 (May, 2018), pp. 13962-13973, Royal Society of Chemistry (RSC) [doi]  [abs]
  5. Yu, VWZ; Corsetti, F; García, A; Huhn, WP; Jacquelin, M; Jia, W; Lange, B; Lin, L; Lu, J; Mi, W; Seifitokaldani, A; Vázquez-Mayagoitia, Á; Yang, C; Yang, H; Blum, V, ELSI: A unified software interface for Kohn–Sham electronic structure solvers, Computer Physics Communications, vol. 222 (January, 2018), pp. 267-285, Elsevier BV [doi]  [abs]
  6. Sinstein, M; Scheurer, C; Matera, S; Blum, V; Reuter, K; Oberhofer, H, Efficient Implicit Solvation Method for Full Potential DFT., Journal of Chemical Theory and Computation, vol. 13 no. 11 (November, 2017), pp. 5582-5603 [doi]  [abs]
  7. Zhu, T; Huhn, WP; Wessler, GC; Shin, D; Saparov, B; Mitzi, DB; Blum, V, I2-II-IV-VI4 (I = Cu, Ag; II = Sr, Ba; IV = Ge, Sn; VI = S, Se): Chalcogenides for Thin-Film Photovoltaics, Chemistry of Materials, vol. 29 no. 18 (September, 2017), pp. 7868-7879, American Chemical Society (ACS) [doi]  [abs]
  8. Huhn, WP; Blum, V, One-hundred-three compound band-structure benchmark of post-self-consistent spin-orbit coupling treatments in density functional theory, Physical Review Materials, vol. 1 no. 3 (August, 2017), American Physical Society (APS) [doi]  [abs]
  9. Zhou, Z; Yu, J; Colell, JFP; Laasner, R; Logan, A; Barskiy, DA; Shchepin, RV; Chekmenev, EY; Blum, V; Warren, WS; Theis, T, Long-Lived 13C2 Nuclear Spin States Hyperpolarized by Parahydrogen in Reversible Exchange at Microtesla Fields., The Journal of Physical Chemistry Letters, vol. 8 no. 13 (July, 2017), pp. 3008-3014 [doi]  [abs]
  10. Lau, VWH; Yu, VWZ; Ehrat, F; Botari, T; Moudrakovski, I; Simon, T; Duppel, V; Medina, E; Stolarczyk, JK; Feldmann, J; Blum, V; Lotsch, BV, Urea-Modified Carbon Nitrides: Enhancing Photocatalytic Hydrogen Evolution by Rational Defect Engineering, Advanced Energy Materials, vol. 7 no. 12 (June, 2017), pp. 1602251-1602251, WILEY [doi]  [abs]
  11. Shin, D; Zhu, T; Huang, X; Gunawan, O; Blum, V; Mitzi, DB, Earth-Abundant Chalcogenide Photovoltaic Devices with over 5% Efficiency Based on a Cu2 BaSn(S,Se)4 Absorber., Advanced Materials (Deerfield Beach, Fla.), vol. 29 no. 24 (June, 2017) [doi]  [abs]
  12. Botari, T; Huhn, WP; Lau, VWH; Lotsch, BV; Blum, V, Thermodynamic Equilibria in Carbon Nitride Photocatalyst Materials and Conditions for the Existence of Graphitic Carbon Nitride g-C3N4, Chemistry of Materials, vol. 29 no. 10 (May, 2017), pp. 4445-4453, American Chemical Society (ACS) [doi]  [abs]
  13. Jensen, SR; Saha, S; Flores-Livas, JA; Huhn, W; Blum, V; Goedecker, S; Frediani, L, The Elephant in the Room of Density Functional Theory Calculations., The Journal of Physical Chemistry Letters, vol. 8 no. 7 (April, 2017), pp. 1449-1457 [doi]  [abs]
  14. Ropo, M; Blum, V; Baldauf, C, Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead., Scientific Reports, vol. 6 (November, 2016), pp. 35772 [doi]  [abs]
  15. Shin, D; Saparov, B; Zhu, T; Huhn, WP; Blum, V; Mitzi, DB, BaCu2Sn(S,Se)4: Earth-abundant chalcogenides for thin-film photovoltaics, Chemistry of Materials, vol. 28 no. 13 (July, 2016), pp. 4771-4780, American Chemical Society (ACS) [doi]  [abs]
  16. Lau, VW-H; Moudrakovski, I; Botari, T; Weinberger, S; Mesch, MB; Duppel, V; Senker, J; Blum, V; Lotsch, BV, Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites., Nature Communications, vol. 7 (July, 2016), pp. 12165 [doi]  [abs]
  17. Tu, Q; Lange, B; Parlak, Z; Lopes, JMJ; Blum, V; Zauscher, S, Quantitative Subsurface Atomic Structure Fingerprint for 2D Materials and Heterostructures by First-Principles-Calibrated Contact-Resonance Atomic Force Microscopy., Acs Nano, vol. 10 no. 7 (July, 2016), pp. 6491-6500 [doi]  [abs]
  18. Theis, T; Ortiz, GX; Logan, AWJ; Claytor, KE; Feng, Y; Huhn, WP; Blum, V; Malcolmson, SJ; Chekmenev, EY; Wang, Q; Warren, WS, Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal 15N2-diazirine molecular tags, Science Advances, vol. 2 no. 3 (March, 2016), pp. e1501438 [doi]  [abs]
  19. Lejaeghere, K; Bihlmayer, G; Björkman, T; Blaha, P; Blügel, S; Blum, V; Caliste, D; Castelli, IE; Clark, SJ; Dal Corso, A; de Gironcoli, S; Deutsch, T; Dewhurst, JK; Di Marco, I; Draxl, C; Dułak, M; Eriksson, O; Flores-Livas, JA; Garrity, KF; Genovese, L; Giannozzi, P; Giantomassi, M; Goedecker, S; Gonze, X; Grånäs, O; Gross, EKU; Gulans, A; Gygi, F; Hamann, DR; Hasnip, PJ; Holzwarth, NAW; Iuşan, D; Jochym, DB; Jollet, F; Jones, D; Kresse, G; Koepernik, K; Küçükbenli, E; Kvashnin, YO; Locht, ILM; Lubeck, S; Marsman, M; Marzari, N; Nitzsche, U; Nordström, L; Ozaki, T; Paulatto, L; Pickard, CJ; Poelmans, W; Probert, MIJ; Refson, K; Richter, M; Rignanese, G-M; Saha, S; Scheffler, M; Schlipf, M; Schwarz, K; Sharma, S; Tavazza, F; Thunström, P; Tkatchenko, A; Torrent, M; Vanderbilt, D; van Setten, MJ; Van Speybroeck, V; Wills, JM; Yates, JR; Zhang, G-X; Cottenier, S, Reproducibility in density functional theory calculations of solids., Science (New York, N.Y.), vol. 351 no. 6280 (March, 2016), pp. aad3000 [doi]  [abs]
  20. Ropo, M; Schneider, M; Baldauf, C; Blum, V, First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids., Scientific Data, vol. 3 (February, 2016), pp. 160009 [1504.03708v2], [doi]  [abs]
  21. Pinheiro, M; Caldas, MJ; Rinke, P; Blum, V; Scheffler, M, Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/ GW approach, Physical Review B, vol. 92 no. 19 (November, 2015), American Physical Society (APS), ISSN 1098-0121 [doi]  [abs]
  22. Supady, A; Blum, V; Baldauf, C, First-Principles Molecular Structure Search with a Genetic Algorithm., Journal of Chemical Information and Modeling, vol. 55 no. 11 (November, 2015), pp. 2338-2348, ISSN 1549-9596 [doi]  [abs]
  23. Ihrig, AC; Wieferink, J; Zhang, IY; Ropo, M; Ren, X; Rinke, P; Scheffler, M; Blum, V, Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory, New Journal of Physics, vol. 17 no. 9 (September, 2015), pp. 093020-093020, IOP Publishing [repository], [doi]  [abs]
  24. Levchenko, SV; Ren, X; Wieferink, J; Johanni, R; Rinke, P; Blum, V; Scheffler, M, Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework, Computer Physics Communications, vol. 192 (July, 2015), pp. 60-69, Elsevier BV, ISSN 0010-4655 [doi]  [abs]
  25. Knuth, F; Carbogno, C; Atalla, V; Blum, V; Scheffler, M, All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals, Computer Physics Communications, vol. 190 (May, 2015), pp. 33-50, Elsevier BV, ISSN 0010-4655 [doi]  [abs]
  26. Nemec, L; Lazarevic, F; Rinke, P; Scheffler, M; Blum, V, Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3×3)-3C-SiC(1¯ 1¯ 1¯) reconstruction, Physical Review B, vol. 91 no. 16 (April, 2015), American Physical Society (APS), ISSN 1098-0121 [doi]  [abs]
  27. Schubert, F; Rossi, M; Baldauf, C; Pagel, K; Warnke, S; von Helden, G; Filsinger, F; Kupser, P; Meijer, G; Salwiczek, M; Koksch, B; Scheffler, M; Blum, V, Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT., Physical Chemistry Chemical Physics : Pccp, vol. 17 no. 11 (March, 2015), pp. 7373-7385, ISSN 1463-9076 [doi]  [abs]
  28. Sforzini, J; Nemec, L; Denig, T; Stadtmüller, B; Lee, T-L; Kumpf, C; Soubatch, S; Starke, U; Rinke, P; Blum, V; Bocquet, FC; Tautz, FS, Approaching truly freestanding graphene: the structure of hydrogen-intercalated graphene on 6H-SiC(0001)., Physical Review Letters, vol. 114 no. 10 (March, 2015), pp. 106804, ISSN 0031-9007 [doi]  [abs]
  29. Schubert, F; Pagel, K; Rossi, M; Warnke, S; Salwiczek, M; Koksch, B; von Helden, G; Blum, V; Baldauf, C; Scheffler, M, Native like helices in a specially designed β peptide in the gas phase., Physical Chemistry Chemical Physics : Pccp, vol. 17 no. 7 (February, 2015), pp. 5376-5385, ISSN 1463-9076 [doi]  [abs]
  30. Lau, VW-H; Mesch, MB; Duppel, V; Blum, V; Senker, J; Lotsch, BV, Low-molecular-weight carbon nitrides for solar hydrogen evolution., Journal of the American Chemical Society, vol. 137 no. 3 (January, 2015), pp. 1064-1072, ISSN 0002-7863 [doi]  [abs]
  31. Rossi, M; Chutia, S; Scheffler, M; Blum, V, Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+)., J Phys Chem A, vol. 118 no. 35 (September, 2014), pp. 7349-7359 [24405171], [doi]  [abs]
  32. Schaefer, B; Pal, R; Khetrapal, NS; Amsler, M; Sadeghi, A; Blum, V; Zeng, XC; Goedecker, S; Wang, L-S, Isomerism and structural fluxionality in the Au26 and Au26(-) nanoclusters., Acs Nano, vol. 8 no. 7 (July, 2014), pp. 7413-7422, ISSN 1936-0851 [doi]  [abs]
  33. Berger, D; Logsdail, AJ; Oberhofer, H; Farrow, MR; Catlow, CRA; Sherwood, P; Sokol, AA; Blum, V; Reuter, K, Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework., The Journal of Chemical Physics, vol. 141 no. 2 (July, 2014), pp. 024105, ISSN 0021-9606 [doi]  [abs]
  34. Marek, A; Blum, V; Johanni, R; Havu, V; Lang, B; Auckenthaler, T; Heinecke, A; Bungartz, H-J; Lederer, H, The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science., Journal of Physics. Condensed Matter : an Institute of Physics Journal, vol. 26 no. 21 (May, 2014), pp. 213201, ISSN 0953-8984 [doi]  [abs]
  35. Zhang, IY; Ren, X; Rinke, P; Blum, V; Scheffler, M, Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar, New Journal of Physics, vol. 15 no. 12 (December, 2013), pp. 123033-123033, IOP Publishing [doi]  [abs]
  36. Schumann, T; Dubslaff, M; Oliveira, MH; Hanke, M; Fromm, F; Seyller, T; Nemec, L; Blum, V; Scheffler, M; Lopes, JMJ; Riechert, H, Structural investigation of nanocrystalline graphene grown on (6√3 × 6√3)R30°-reconstructed SiC surfaces by molecular beam epitaxy, New Journal of Physics, vol. 15 no. 12 (December, 2013), pp. 123034-123034, IOP Publishing [doi]  [abs]
  37. Nemec, L; Blum, V; Rinke, P; Scheffler, M, Thermodynamic equilibrium conditions of graphene films on SiC, Physical Review Letters, vol. 111 no. 6 (August, 2013), pp. 065502 [doi]  [abs]
  38. Baldauf, C; Pagel, K; Warnke, S; von Helden, G; Koksch, B; Blum, V; Scheffler, M, How cations change peptide structure., Chemistry (Weinheim an Der Bergstrasse, Germany), vol. 19 no. 34 (August, 2013), pp. 11224-11234, ISSN 0947-6539 [doi]  [abs]
  39. Heine, N; Fagiani, MR; Rossi, M; Wende, T; Berden, G; Blum, V; Asmis, KR, Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer, Journal of the American Chemical Society, vol. 135 no. 22 (2013), pp. 8266-8273, American Chemical Society [doi]  [abs]
  40. Chutia, S; Rossi, M; Blum, V, Water adsorption at two unsolvated peptides with a protonated lysine residue: from self-solvation to solvation., Journal of Physical Chemistry B, vol. 116 no. 51 (December, 2012), pp. 14788-14804, ISSN 1520-6106 [doi]  [abs]
  41. Rossi, M; Blum, V; Scheffler, M, Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length, vol. 117 no. 18 (August, 2012), pp. 5574-5584 [6133], [doi]  [abs]
  42. Rossi, M; Blum, V; Scheffler, M, Stabilization of peptide helices by length and vibrational free energies:$$ emph $$Ab initio$$ case study of polyalanine, Bulletin of the American Physical Society, vol. 57 (2012), APS
  43. Ren, X; Rinke, P; Blum, V; Wieferink, J; Tkatchenko, A; Sanfilippo, A; Reuter, K; Scheffler, M, Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions, New Journal of Physics, vol. 14 no. 5 (2012), pp. 053020-053020, IOP Publishing [doi]  [abs]
  44. Tkatchenko, A; Rossi, M; Blum, V; Ireta, J; Scheffler, M, Unraveling the stability of polypeptide helices: critical role of van der Waals interactions, Physical Review Letters, vol. 106 no. 11 (2011), pp. 118102-118102, APS [doi]  [abs]
  45. Auckenthaler, T; Blum, V; Bungartz, H-J; Huckle, T; Johanni, R; Krämer, L; Lang, B; Lederer, H; Willems, PR, Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations, Parallel Computing, vol. 37 no. 12 (2011), pp. 783-794, Elsevier [doi]  [abs]
  46. Rossi, M; Blum, V; Kupser, P; von Helden, G; Bierau, F; Pagel, K; Meijer, G; Scheffler, M, Secondary structure of Ac-Ala $ _n $-LysH $\^+ $ polyalanine peptides ($ n $= 5, 10, 15) in vacuo: Helical or not?, Arxiv Preprint Arxiv:1005.1228, vol. 1 no. 24 (2010), pp. 3465-3470, American Chemical Society (ACS) [doi]  [abs]
  47. Barabash, SV; Chepulskii, RV; Blum, V; Zunger, A, First-principles determination of low-temperature order and ground states of Fe-Ni, Fe-Pd, and Fe-Pt, Physical Review B, vol. 80 no. 22 (2009), pp. 220201-220201, APS [doi]  [abs]
  48. Blum, V; Gehrke, R; Hanke, F; Havu, P; Havu, V; Ren, X; Reuter, K; Scheffler, M, < i> Ab initio molecular simulations with numeric atom-centered orbitals, Computer Physics Communications, vol. 180 (2009), pp. 2175-2196, Elsevier
  49. Havu, V; Blum, V; Havu, P; Scheffler, M, Efficient O (N) integration for all-electron electronic structure calculation using numeric basis functions, Journal of Computational Physics, vol. 228 no. 22 (2009), pp. 8367-8379, Elsevier [doi]  [abs]
  50. Blum, V; Gehrke, R; Hanke, F; Havu, P; Havu, V; Ren, X; Reuter, K; Scheffler, M, Ab initio molecular simulations with numeric atom-centered orbitals, Comp. Phys. Commun., vol. 180 no. 11 (2009), pp. 2175-2196, Elsevier Science [doi]  [abs]
  51. Kostelník, P; Seriani, N; Kresse, G; Mikkelsen, A; Lundgren, E; Blum, V; Šikola, T; Varga, P; Schmid, M, The Pd (1 0 0) - (sqrt(5) × sqrt(5)) R 27 ° s(-) O surface oxide: A LEED, DFT and STM study, Surface Science, vol. 601 no. 6 (March, 2007), pp. 1574-1581, ISSN 0039-6028 [doi]  [abs]
  52. Barabash, SV; Blum, V; Müller, S; Zunger, A, Prediction of unusual stable ordered structures of Au-Pd alloys via a first-principles cluster expansion, Physical Review B, vol. 74 no. 3 (July, 2006), American Physical Society (APS), ISSN 1098-0121 [Gateway.cgi], [doi]  [abs]
  53. Hammer, L; Blum, V; Schmidt, C; Wieckhorst, O; Meier, W; Müller, S; Heinz, K, Role of Co antisite segregation in the CoAl(111) surface, Physical Review B, vol. 71 no. 7 (February, 2005), American Physical Society (APS), ISSN 1098-0121 [Gateway.cgi], [doi]  [abs]
  54. Blum, V; Zunger, A, Prediction of ordered structures in the bcc binary systems of Mo, Nb, Ta, and W from first-principles search of approximately 3,000,000 possible configurations, Physical Review B, vol. 72 no. 2 (2005), pp. 020104-020104, APS [doi]  [abs]
  55. Blum, V; Hart, GLW; Walorski, MJ; Zunger, A, Using genetic algorithms to map first-principles results to model Hamiltonians: Application to the generalized Ising model for alloys, Physical Review B, vol. 72 no. 16 (2005), pp. 165113-165113, APS [doi]  [abs]
  56. Hart, GLW; Blum, V; Walorski, MJ; Zunger, A, Evolutionary approach for determining first-principles hamiltonians, Nature Materials, vol. 4 no. 5 (2005), pp. 391-394, NATURE PUBLISHING GROUP [doi]  [abs]
  57. Blum, V; Zunger, A, Structural complexity in binary bcc ground states: The case of bcc Mo-Ta, Physical Review B, vol. 69 no. 2 (2004), pp. 020103-020103, APS, ISSN 0163-1829 [doi]  [abs]
  58. Blum, V; Zunger, A, Mixed-basis cluster expansion for thermodynamics of bcc alloys, Physical Review B, vol. 70 no. 15 (2004), pp. 155108-155108, APS [doi]
  59. Blum, V; Zunger, A, Structural complexity in binary bcc ground states: The case of bcc Mo-Ta, Physical Review. B, Condensed Matter, vol. 69 no. 2 (2004), pp. 201031-201034, ISSN 0163-1829  [abs]
  60. Blum, V; Schmidt, A; Meier, W; Hammer, L; Heinz, K, Competitive surface segregation of C, Al and S impurities in Fe(100), Journal of Physics. Condensed Matter : an Institute of Physics Journal, vol. 15 no. 21 (June, 2003), pp. 3517-3529, IOP Publishing, ISSN 0953-8984 [Gateway.cgi], [doi]  [abs]
  61. Hammer, L; Meier, W; Blum, V; Heinz, K, Equilibration processes in surfaces of the binary alloy Fe-Al, Journal of Physics. Condensed Matter : an Institute of Physics Journal, vol. 14 no. 16 (April, 2002), pp. 4145-4164, IOP Publishing, ISSN 0953-8984 [Gateway.cgi], [doi]  [abs]
  62. Blum, V; Hammer, L; Heinz, K; Franchini, C; Redinger, J; Swamy, K; Deisl, C; Bertel, E, Structure of the c(2×2)-Br/Pt(110) surface, Physical Review. B, Condensed Matter, vol. 65 no. 16 (2002), pp. 1654081-16540813, American Physical Society (APS), ISSN 1098-0121 [Gateway.cgi], [doi]  [abs]
  63. Blum, V; Hammer, L; Schmidt, C; Meier, W; Wieckhorst, O; Muller, S; Heinz, K, Segregation in strongly ordering compounds: A key role of constitutional defects, Physical Review Letters, vol. 89 no. 26 (2002), pp. 266102, ISSN 0031-9007 [Gateway.cgi], [doi]  [abs]
  64. Blum, V; Hammer, L; Meier, W; Heinz, K, Quantification of substitutional disorder and atomic vibrations by LEED - The role of parameter correlations, Surface Science, vol. 488 no. 1-2 (August, 2001), pp. 219-232, Elsevier BV, ISSN 0039-6028 [Gateway.cgi], [doi]  [abs]
  65. Meier, W; Blum, V; Hammer, L; Heinz, K, Equilibration of stoichiometrically distorted Fe1-xAlx(100) surfaces, Journal of Physics. Condensed Matter : an Institute of Physics Journal, vol. 13 no. 9 (March, 2001), pp. 1781-1791, IOP Publishing, ISSN 0953-8984 [Gateway.cgi], [doi]  [abs]
  66. Blum, V; Hammer, L; Meier, W; Heinz, K; Schmid, M; Lundgren, E; Varga, P, Segregation and ordering at Fe1-xAlx(1 0 0) surfaces - a model case for binary alloys, Surface Science, vol. 474 no. 1-3 (March, 2001), pp. 81-97, Elsevier BV, ISSN 0039-6028 [Gateway.cgi], [doi]  [abs]
  67. Blum, V; Heinz, K, Fast LEED intensity calculations for surface crystallography using Tensor LEED, Computer Physics Communications, vol. 134 no. 3 (2001), pp. 392-425, Elsevier BV, ISSN 0010-4655 [Gateway.cgi], [doi]  [abs]
  68. Walter, S; Blum, V; Hammer, L; Müller, S; Heinz, K; Giesen, M, Role of an energy-dependent inner potential in quantitative low-energy electron diffraction, Surface Science, vol. 458 no. 1 (June, 2000), pp. 155-161, Elsevier BV, ISSN 0039-6028 [Gateway.cgi], [doi]  [abs]
  69. Blum, V; Rath, C; Müller, S; Hammer, L; Heinz, K, Fe thin-film growth on au(100): a self-surfactant effect and its limitations, Physical Review B, vol. 59 no. 24 (January, 1999), pp. 15966-15974, American Physical Society (APS), ISSN 2469-9950 [Gateway.cgi], [doi]  [abs]
  70. Hammer, L; Graupner, H; Blum, V; Heinz, K; Ownby, GW; Zehner, DM, Segregation phenomena on surfaces of the ordered bimetallic alloy FeAl, Surface Science, vol. 412-413 (September, 1998), pp. 69-81, Elsevier BV, ISSN 0039-6028 [Gateway.cgi], [doi]  [abs]
  71. Reuter, K; Vamvakas, J; Saldin, D; Blum, V; Ott, M; Wedler, H; Döll, R; Heinz, K, Extending holographic LEED to ordered small-unit-cell superstructures, Physical Review B, vol. 58 no. 7 (January, 1998), pp. 4102-4110, American Physical Society (APS), ISSN 1098-0121 [Gateway.cgi], [doi]  [abs]
  72. Blum, V; Rath, C; Castro, GR; Kottcke, M; Hammer, L; Heinz, K, Ordered and disordered rippling in the CoAl(110)-(1 × 1) surface, Surface Review and Letters, vol. 3 no. 3 (1996), pp. 1409-1415, World Scientific Pub Co Pte Lt, ISSN 0218-625X [Gateway.cgi], [doi]  [abs]
  73. Blum, V; Brugger, A; Nixon, AP; Gallon, TE, The Auger (autoionization) spectra excited by argon and neon ion bombardment of a magnesium surface, Journal of Physics: Condensed Matter, vol. 6 no. 45 (1994), pp. 9677-9677, IOP Publishing [doi]  [abs]
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