 |
Frank
Hagelberg, Ph.D. |
Education: Ph.D., University of Bonn, Germany
Main Research Interests:
- Theory of Atomic Cluster Systems: Analysis of growth patterns and of the origin
of solid state properties (structural features, nature of bonding, ferromagnetism
and antiferromagnetism, conductivity and superconductivity) by ab initio studies
of finite systems.
- Non-adiabatic Quantum Dynamics of molecular species.
- Interactions between finite systems (molecules and clusters) with periodic
substrate layers.
- Theory of electron impact excitation and ionization phenomena.
Selected Publications:
(65) Probing electronic states of Ne2+ and Ar2+ by measuring kinetic-energy-release
distributions.
J. Fedor, R. Parajuli, S. Matt-Leubner, O. Echt, F. Hagelberg, K. Gluch, M.
Probst, P. Scheier, T. D. Maerk., Phys. Rev. Lett., accepted for publication.
(64) Silicon clusters
doped with an Yttrium metal atom.
Chuanyun Xiao †, Jessica Blundell, Frank Hagelberg William A. Lester,
Jr., Int. J. Quant. Chem, accepted for publication.
(63) The Formation
of New Silicon Cages: A Semiempirical Theoretical Investigation.
J. G. Han, Z. Y. Ren, Z. F. Chen, L. S. Sheng, Y. W. Zhang, J. A. Morales and
F.Hagelberg, J. Mol. Struct. (Theochem), in press
(62) Energetics
and dynamics of decaying cluster ions.
K. Gluch, J. Fedor, S. Matt-Leubner, R. Parajuli, C. Mair, A. Stamatovic, O.
Echt, C.Lifshitz, J. Harvey, F. Hagelberg, Z. Herman, M. Probst, P. Scheier,
T. D. Maerk, Eur. Phys. J. D, in press.
(61) Cage-like Si12
Clusters with Endohedral Cu, Mo and W Metal Atom Impurities.
F. Hagelberg, C.Xiao, W.A.Lester, Jr., Phys.Rev.B 67, 035426 (2003).
(60) Computational
Study of IrSi9+ Isomers.
F.Hagelberg, C.Xiao, Struct. Chem., in press.
(59) Comparative
study on the interaction of Sc and Cu atoms with small silicon clusters.
C.Xiao, A.Abraham, R.Quinn, F.Hagelberg, W.A.Lester, Jr., J.Phys.Chem. 106,
11380 (2002)
(58) Geometric,
Energetic and Bonding Properties of Neutral and Charged Copper-Doped Silicon
Clusters.
C.Xiao, F.Hagelberg, W.A.Lester, Jr., Phys.Rev.B 66 75425 (2002).
(57) Isotope Effects
in the Electron Impact Ionization of H2/D2, H2O/D2O and C6H6/C6D6 near Threshold.
G.Hanel, B.Gstir, T.Fiegele, F.Hagelberg, K.Becker, P.Scheier, A.Snegursky,
T.D.Maerk, J.Chem.Phys. 116,6 2456 (2002).
(56) Non-adiabatic
Effects in the Pseudorotational Motion of Triatomic Molecules.
F.Hagelberg, E.Deumens, Phys.Rev.A. 65, 52505 (2002).
(55) Hartree-Fock
calculations for FeCl2 and FeBr2 – the question of the 57mFe quadrupole
moment.
F.Hagelberg, T.P.Das, K.C.Mishra, Phys.Rev.B 65 14425 (2002).
(54) Geometric and
electronic structure of WSin (n=1-6,12) clusters.
J.-G. Han, C.Xiao, F.Hagelberg, Struct. Chem. 13(2) 173 (2002)
(53) Pseudorotational
Dynamics of H3+ and Li3+.
F. Hagelberg, Int.J. Quant.Chem. 85, 72 (2001)
(52) Theoretical
study of small silicon clusters on a graphite layer.
F.Hagelberg, C.Xiao, B.Marsen, M.Lonfat, P.Scheier, K.Sattler, Eur.Phys.J.D
16, 37 (2001)
(51) A density functional
investigations of MoSin (n = 1-6) clusters.
Ju-Guang Han, Frank Hagelberg, J.Molec.Struct. (Theochem) 549, 165 (2001)
(50) Quantum Monte
Carlo characterization of small Cu-doped silicon clusters: CuSi4 and CuSi6.
I.V.Ovcharenko, W.A.Lester,Jr., C.Xiao, F.Hagelberg, J.Chem.Phys. 114, 9028
(2001).
(49) Geometric structures
and stabilities of CuSin clusters (n = 8, 10, 12).
C.Xiao, F.Hagelberg, I.Ovcharenko, W.A.Lester,Jr., J.Molec.Struct. (Theochem)
549,181 (2001).
(48) Formation and
dissociation of triply charged fragment ions of benzene.
F.Scheuermann, E.Salzborn, F.Hagelberg, P.Scheier, J.Chem.Phys. 114, 9875 (2001).
(47) A density functional
theory investigation on CrSin (n=1-6) Clusters.
J.G.Han, F. Hagelberg, Chem.Phys. 263, 255 (2001)
(46) Coulomb blockade
effects in charged Si7 clusters on a graphite substrate.
F.Hagelberg, P.Scheier, B.Marsen, M.Lonfat, K.Sattler, J.Molec.Struct.(Theochem)
529, 149 (2000).
(45) Pseudoprecession
of Triatomic Systems by Electron Nuclear Dynamics Theory.
F. Hagelberg, Int.J.Quant.Chem. 80, 966 (2000)
(44) Spin Transfer
as Stabilization Mechanism in Arsenic Based Zintl Clusters.
D.Spencer, F. Hagelberg, J.Molec. Struct., J.Molec.Struct.(Theochem) 529, 259
(2000).
(43) Computational
Studies on Si7 Clusters Deposited on a Graphite Substrate.
F.Hagelberg, P.Scheier, B.Marsen, M.Lonfat, K.Sattler, in: “Cluster and
Nanostructure Interfaces”. Eds.: P.Jena, S.N.Khanna, B.K.Rao, Eds., Worls
Scientific,Singapore
2000, 619.
(42) Charge Transfer
Mechanism in Cu-doped Silicon Clusters: A Density Functional Study.
C. Xiao, F.Hagelberg, J.Molec.Struct. (Theochem) 529, 241 (2000).
(41) Electron Nuclear
Dynamics Studies of H3 and H3+.
F. Hagelberg, Int.J.Quant.Chem. 75, 367 (1999).
(40) Quantum dynamical
studies of H3.
F.Hagelberg, J.Molec.Struc. (Theochem) 487, 151 (1999).
(39) Theoretical
Investigations on closed-shell silicon clusters doped with Cu atoms.
F.Hagelberg, I.Yanov, J.Leszczynski, J.Molec.Struc.(Theochem) 487, 183 (1999).
(38) Transient Field
Measurement in the giant moment PdFe alloy
B.Heller, K.-H.Speidel, R.Ernst,A.Gohla, U.Grabowy, U.Roth, G.Jakob,
F.Hagelberg,
J.Gerber, S.N.Mishra, P.N.Tandon,
Nuc.Inst.Meth. B 142 133 (1998).
(37) Evaluation
of the 57Fe Quadrupole Moment from Hartree – Fock Calculations.
F.Hagelberg, T.P.Das, Z.Naturforsch.53a, 358 (1998).
(36) Theoretical
Investigations on Small Closed – Shell SiliconN Clusters.
F.Hagelberg, J.Leszczynski, V.Murashov, A.Korkin, J.Molec.Struc.(Theochem) 454,
209 (1998).
(35) Zintl Clusters
analogous to Ozone.
F.Hagelberg, T.P.Das, K.G.Weil, J.Phys.Chem.102, 4630 (1998).
(34) Synchroton
White Beam Thermal Loading of Polycapillary X-Ray Optic.
B.K.Rath, F.Hagelberg, B.E.Honan, C.A.MacDonald, Nucl.Instr.Meth.A, vol.401,
421 (1997)
(33) Electric Field
Gradients for Small Antimony based Zintl Clusters from Hartree-Fock Investigations.
F.Hagelberg, T.P.Das, K.G.Weil, Z. Naturforsch.51a, 557 (1996).
(32) Spin Exchange
between Fast Ions and Majority Electrons in Ferromagnets as the Origin of Transient
Fields.
F. Hagelberg, T.P.Das, K.-H.Speidel, Hyperfine Interactions C 1, 151 (1996).
(31) Theory of Electric
Field Gradients for Sb4 - and Sb42- analogous Zintl Clusters.
F.Hagelberg, T.P.Das, K.G.Weil, Hyperfine Interactions C 1, 13 (1996).
(30) Ab Initio Investigations
on Sb4 analogous Zintl Clusters.
F.Hagelberg, Sudha Srinivas, N.Sahoo, T.P.Das, K.G.Weil , Phys.Rev.A 53, 353
(1996).
(29) Hyperfine Interaction
Studies on swift O-ions emerging emerging with Polarized Electrons from Ferromagnetic
Layers into Vacuum.
S.Kremeyer, K.-H.Speidel, O.Jessensky, H.Busch, U.Grabowy, A.Gohla, J.Cub, G.Jakob,
P.Maier-Komor, J.Gerber, A.Meens, F.Hagelberg, T.P.Das.
Z.Phys.A 348, 49 (1994).
(28) On the Origin
of Transient Magnetic Fields.
F.Hagelberg, in: Proceedings of the Symposion on Local Order in Condensed Matter
Physics, eds. P.Jena, S.Mahanti and B.K.Rao, Nova Science Publishers, New York
(1995).
(27) Structure and
Bonding in Alkali-Antimony (AnSb4) Clusters .
F.Hagelberg, S.Neeser, N.Sahoo, T.P.Das, K.G.Weil, Phys. Rev.A 50, 557 (1994).
(26) Theory of Location
and Associated Hyperfine Properties of Positive Muon in La2Cu O4.
S.B.Sulaiman, Sudha Srinivas, N.Sahoo, F.Hagelberg, T.P.Das, E.Torikai, K.Nagamine,
Phys.Rev.B 49, 9879 (1994).
(25) Spin Exchange
Scattering between Fast Ions and Localized Moments in Ferromagnets as the Origin
of Transient Fields.
F.Hagelberg, T.P.Das and K.-H.Speidel, Phys.Rev.C 48, 2230 (1993).
(24) Theory of Location
and Associated Hyperfine Properties of Positive Muon in High-Tc Systems.
S.B.Sulaiman, N.Sahoo, Sudha Srinivas, F.Hagelberg, E.Torikai and K.Nagamine,
Hyperfine Interactions 79, 901 (1993).
(23) First Principles
Theory for Location of Positive Muon in La2CuO4 and Associated Hyperfine Interactions.
S.B.Sulaiman, N.Sahoo, F.Hagelberg, Sudha Srinivas, E.Torikai, K.Nagamine, Hyperfine
Interactions 79, 739 (1993).
(22) Theory for
Position of Muon in a-Quartz and Associated Hyperfine Interaction. S.M.Mohapatra,
N.Sahoo, K.C.Mishra, Tina Briere, Sudha Srinivas, F.Hagelberg, Hyperfine Interactions
79, 659 (1993).
(21) Transient Field
Measurements on 32S(2+) Ions in Gd at the 1s Electron Bohr Velocity.
J.Cub, M.Bussas, K.-H.Speidel, W.Karle, U.Knopp, H.Busch, H.-J.Wollersheim,
J.Gerl, K.Vetter, C.Ender, F.Koeck, J.Gerber, F.Hagelberg, Z.Phys.A 345, 1 (1993).
(20) Hartree-Fock
Investigations of Electronic Structure and 19F* Quadrupole Interactions in Fluorobenzenes.
S.Swingle-Nunes, N.Sahoo, F.Hagelberg, T.P.Das, K.Bonde Nielsen, J. Am. Chem.
Soc. 115, 5145 (1993).
(19) Hartree-Fock
Investigation of the Structure of Sb4 Clusters.
F.Hagelberg, N.Sahoo, T.P.Das, K.-G.Weil, K.-H.Speidel, Phys.Rev.A46, 6087 (1992).
(18) New Determination
of the Magnetic Moment of the 54Fe(2+) State at 1.408 MeV. K.-H.Speidel, J.Cub,
U.Reuter-Knopp, W.Karle, H.Busch, S.Kremeyer, J.Gerber, F.Hagelberg, Z.Phys.A
342, 17 (1992).
(17) Hartree-Fock
Investgation of Pure Antimony and Alkali-Antimony Clusters. F.Hagelberg, S.Neeser,
N.Sahoo, T.P.Das, K.G.Weil, K.-H.Speidel, in: Physics and Chemistry of Finite
Systems: From Clusters to Crystals, Editors: P.Jena, S.N. Khanna, B.K.Rao, Kluwer
Academic Publishers, Dordrecht (1992).
(16) Electron Polarization
of Highly Stripped Oxygen Ions Emerging from Magnetized
Iron Layers.
H.-J.Simonis, S.Kremeyer, U.Reuter, F.Hagelberg, G.-M.Kim, K.-H. Speidel, M.Knopp,
J.Cub, W.Karle, M.Weidinger, J.Gerber, A.Meens, P.N.Tandon, Phys.Lett.B254 No.1,2
35 (1991).
(15) Plunger Measurements
on Highly Stripped O-Ions as Tool for Detecting Electron Polarization on Emergence
from Thin Ferromagnetic Layers.
H.-J.Simonis, S.Kremeyer, F.Hagelberg, U.Reuter, M.Knopp, K.-H.Speidel, J.Cub,
W.Karle, P.N.Tandon, J.Gerber, Hyperfine Interactions 61, 1347 (1990).
(14) Spin Exchange
Scattering as the Most Likely Polarization Mechanism in Transient Magnetic Fields.
F.Hagelberg, K.-H.Speidel, P.N.Tandon, Z.Phys.D17, 17 (1990).
(13) Transient Magnetic
Fields for Highly Stripped Ions Traversing Ferromagnetic Solids.
K.-H.Speidel, M.Knopp, W.Karle, J.Cub, M.-L.Dong, H.-J.Simonis, F.Hagelberg,
U.Reuter, S.Kremeyer, J.Gerber, Hyperfine Interactions 51, 817 (1989).
(12) Large Transient
Magnetic Fields for Single-Electron O-Ions on a 10fs Time Scale. U.Reuter, F.Hagelberg,
S.Kremeyer, H.-J.Simonis, K.-H.Speidel, M.Knopp, W.Karle, J.Cub, J.Gerber, Phys.Lett.
B230 No.1,2 16 (1989).
(11) Measurement
of Lifetime and g-Factor of the 32S(4+) State at 4.459 MeV.
H.-J.Simonis, F.Hagelberg, K.-H.Speidel, M.Knopp, W.Karle, U.Kilgus, J.Gerber,
Z.Phys.A330, 361 (1988).
(10) Evidence for
Spin Polarized Electrons of Highly Stripped Fluorine Ions Emerging from Thin
Ferromagnetic Layers.
K.-H.Speidel, M.Knopp, W.Karle, P.Maier-Komor, H.-J.Simonis, F.Hagelberg, J.Gerber,
P.N.Tandon, Phys. Rev. Lett. 61,22, 2616 (1988).
(9) New Aspects
in Transient Magnetic Fields Using Heavy Ion Beams.
K.-H.Speidel, M.Knopp, W.Karle, U.Kilgus, M.-L.Dong, H.-J.Simonis, F.Hagelberg,
J.Gerber, Z.Phys.A331, 29 (1988).
(8) Attenuations
and Atomic Spin Precessions of g-Angular Correlations for Coulomb Excited 19F
Nuclei in Single Electron Ions.
M.Knopp, K.-H.Speidel, F.Hagelberg, H.-J.Simonis, P.N.Tandon, J.Gerber, Z.Phys.D4,
329 (1987).
(7) Transient Field
Precessions and Electron Polarizations for Sulphur Ions at High Velocity.
H.-J.Simonis, F.Hagelberg, M.Knopp, K.-H.Speidel, W.Karle, J.Gerber, Z.Phys.D7,
233 (1987).
(6) Measurements
of the g-Factor Ratio of the first 3- and 5- states in 40Ca and the lifetime
of the 5- state.
M.Mayr, K.-H.Speidel, M.Knopp, W.Karle, T.Faestermann, F.Hagelberg, H.-J.Simonis,
P.N.Tandon, J.Gerber, Z.Phys.A327, 157 (1987).
(5) The Effect of
Helium Layers Implanted into Thin Iron Foils on Transient Magnetic Fields.
H.-J.Simonis, F.Hagelberg, W.Troelenberg, K.-H.Speidel, M.Knopp, J.Gerber, Nucl.
Instr. Meth. B21, 56 (1987).
(4) Transient K-shell
Hyperfine Fields and Deduced Polarizations for Single Electron C and O Ions
in Different Ferromagnets.
K.-H.Speidel, M.Knopp, W.Karle, M.Mayr, F.Hagelberg, H.-J.Simonis, J.Gerber,
P.N.Tandon, Z.Phys.D6, 43 (1987).
(3) Transient Magnetic
Fields at Ne Ions in Fe and Gd Hosts and a Critical Assessment of 20Ne(4+) g-Factor
Measurements.
W.Troelenberg, F.Hagelberg, H.-J.Simonis, P.N.Tandon, K.-H.Speidel, M.Knopp,
J.Gerber, Nucl.Phys.A458, 95 (1986).
(2) Strong Enhancement
of Transient Magnetic Fields in Gd over Fe for Oxygen Ions at High Velocities.
K.-H.Speidel, F.Hagelberg, M.Knopp, W.Troelenberg, H.Neuburger, J.Gerber, S.S.
Hanna, H.Dekhissi, P.N.Tandon, Z.Phys.D1, 363 (1986).
(1) Atomic Spin
Precessions of Fluorine Ions Recoiling Through Vacuum in Weak Transverse Magnetic
Fields.
M.Knopp, V.Mertens, F.Hagelberg, K.-H.Speidel, J.Gerber, H.Dekhissi, P.N.Tandon,
Z.Phys. A320, 635 (1985).