Publication list by subjects

List of subjects
  1. Early publications
  2. Fully Relativistic Theory of Photoemission
  3. KKR-CPA
  4. Fermi Surfaces and Electronic Topological Transitions
  5. Metallic Multilayers
  6. Magnetic Anisotropy Energy
  7. Magnetic Dynamic Susceptibility in random alloys
  8. Magnetic instabilities
1. Early publications

My early papers can be classified accordingly the following list:
 


  Continued fraction method
I have been studying alloys, Palladium hydride, chemisorption and overlayers. A relevant list follows.

  1. G.Cubiotti and B.Ginatempo, J.Phys. F: Metal Physics, 8, 4, 601 (1978), Electronic Density of states for Cu-Ni alloys by continued fraction method. (The Institute of Physics, Bristol,U.K)
  2. G.Cubiotti and B.Ginatempo, J.Phys C: Solid State Phys., 12, L551 (1979), Electron Density of States in stoichiometric PdH by the recursion method. (The Institute of Physics, Bristol,U.K.)
  3. G.Cubiotti and B.Ginatempo, Surf. Sci., 91, 327 (1980), Study of H chemisorption on a Cu surface by the recursion method. (Elsevier Science Publishers: Amsterdam, The Netherlands)
  4. G.Cubiotti and B.Ginatempo, J.Phys. F: Metal Phys., 11, 641 (1981), A Cu overlayer on a Ni surface - the electron density of states. (The Institute of Physics, Bristol,U.K.)
  5. G.Cubiotti and B.Ginatempo, Lett. Nuovo Cimento, 31,4,115 (1981), H-Chemisorption on a Pd surface: The electron density of states. (Compositori, Bologna)


  Auger spectra calculations
Within the Cini-Sawaztky framework, I calculated the Auger Spectra of the following systems:

  1. G.Cubiotti and B.Ginatempo, Lett. Nuovo Cimento, 31, 5, 172 (1981), XVV Auger Spectra of Cu-Ni alloys. (Compositori, Bologna)
  2. G.Cubiotti and B.Ginatempo, Nuovo Cimento D 1,1,81 (1982), XVV Auger Spectra in substitutional alloys. (Compositori, Bologna)
  3. G.Cubiotti, E.S. Giuliano, B.Ginatempo and A.Stancanelli, Nuovo Cimento D 2, 3, 853 (1983), Influence of the Coulomb Correlation in partially filled d-bands on the electronic spectra of disordered alloys. (Compositori, Bologna)
  4. G.Bruno, G.Cubiotti, B.Ginatempo and E.S.Giuliano, Phys. Scripta, 35, 699 (1987), Matrix elements effects on Auger spectra. (Sweden)


  KKR-CPA
My early KKR-CPA calculations include:

  1. E. Donato, B.Ginatempo, E.S. Giuliano, R. Ruggeri and A.Stancanelli, Phys.Stat.Sol. (b), 110, 39 (1982), Fermi Surfaces in Nbc-Mo1-c random alloys. (Akademie Verlag GmbH: Berlin,Germany).
  2. E.Donato, B.Ginatempo, E.S.Giuliano, R.Ruggeri and A.Stancanelli, Nuovo Cimento D 1, 3, 351 (1982), Electronic properties of b.c.c. Transition Metals solid solutions. A study of the Zr-Nb system. (Compositori, Bologna)
  3. E.Donato, B.Ginatempo, E.S. Giuliano, R.Ruggeri and A.Stancanelli, J.Phys. F: Metal Phys., 12, 2309 (1982), Fermi Surfaces and electron phonon mass enhancement factor in Zr-Nb-Mo solid solutions. (The Institute of Physics, Bristol,U.K.)
  4. E.Donato, B.Ginatempo, E.S. Giuliano, R.Ruggeri and A.Stancanelli, Lett. Nuovo Cimento, 35, 11, 373 (1982), Electronic density of states and Fermi surface of the Ta0.5-W0.5 alloy. (Compositori, Bologna)
  5. G.Bruno, B.Ginatempo, E.S.Giuliano and A.Stancanelli, Nuovo Cimento D 9, 1495 (1987), Electronic properties of nonhomovalent alloys: a study of the b.c.c. Li-Mg solid solution. (Compositori, Bologna)


  Amorphous system

  1. G.Cubiotti and B.Ginatempo, Lett. Nuovo Cimento, 16, 8, 229 (1976), Energy Relaxation in a model for Amorphous Germanium. (Compositori, Bologna)
  2. E.Donato, B.Ginatempo, E.S. Giuliano, R.Ruggeri and A.Stancanelli, Lett. Nuovo Cimento, 35, 12, 385 (1982), Electronic density of states in Ni.6-Nb.4 metallic glass. (Compositori, Bologna)
  3. E.S. Giuliano, B.Ginatempo, E.Donato, R.Ruggeri and A.Stancanelli, Nuovo Cimento D 1, 2, 186 (1982), Cluster calculations of the electronic density of states in a Cu-Zr metallic glass. (Compositori, Bologna)
2. Fully relativistic Theory of Photoemission

The formulation of a fully relativistiv photoemission theory has been my first robust work, mostly performed in Bristol, while I was Prof. Balazs Györffy post doct. I value particularly relevante paper b of the following list, where the complete theory is presented. There a new formulation for the calculations of the electric dipole matrix element is derived and that was a crucial step in order to make the calculation feasible within the multiple scattering theory. The most relevant results are given in a) paper a, where a quantitative theoretical explanation of the electron spin polarisation (ESP) of the photoelectron beam extracted by circularly polarised radiation is given; b) paper c where a quantitative explanation of the photoemission intensity asymmetry (different photoelectron spectra obtained by off-normal circularly left/right polarised photon beams) is given; and c) CuAu alloy photoemission spectra calculation (paper f). Paper g is a review.
 
  1. B.Ginatempo, P.J.Durham, B.L.Györffy and W.M.Temmermann, Phys. Rev. Lett., 54, 1581 (1985), A theory of spin-polarized photoemission from non-magnetic metals: Platinum. (The American Physical Society: Woodbury, USA)
  2. B.Ginatempo, P.J. Durham and B.L. Györffy, J.Phys.: Condensed Matter, 1, 6483 (1989), A relativistic theory of photoemission from crystalline metals and alloys. (The Institute of Physics,Norwich,U.K.) .)
  3. B.Ginatempo and B.L. Györffy, J.Phys.: Condens. Matter 2, 5233 (1990), The Spin dependence of Photoemission Intensities Off the Surface Normal, from the (1,1,1) face of Platinum. (The Institute of Physics,Norwich,U.K.)
  4. U. König, B.Ginatempo, G. Hormandinger, P. Weinberger and A.M. Boring, Physica B 172, 125 (1991) A fully relativistic study of angle-resolved photoemission from Ag (1,0,0) and Au (1,0,0) surfaces. (Elsevier Science Publishers: Amsterdam, The Netherlands)
  5. U. König, B.Ginatempo, J. Redinger, P. Weinberger, Sol. State Comm., 78, 445 (1991), A Fully Relativistic Study of Angle -Resolved Photoemission of the Au (111) Surface.
  6. B.Ginatempo, L.R. Masliah, R.G. Jordan and S.L. Qiu, J. Phys.: Condens. Matter, 8 , L331 (1996), Experimental and Theoretical Study of Angle Resolved Photoemission Spectra from the (111) surface of ordered CuAuI. (The Institute of Physics, Bristol,U.K.)
    7. B.Ginatempo, Surface Rev. Lett. 3, 1733 (1996), Angle Resolved Photoemission Spectra Calculations in Non-Magnetic Alloys.
3. KKR-CPA

This is the biggest body of my work. It includes
 


Theory and new algorithms implementation
In this subsection, there are two quite relevant papers. Paper b is the account of the hard work to build a fast and efficient, fully relativistic and many sublattice KKR-CPA code, work that has lead to the 1990 Gordon Bell Prize for price/performance ratio, for the authors. Paper cis the account for the new Brillouin zone integration method (plus other algorithms for calculating the KKR structure constants), that allows to perform very high precision integrals, for any Bravais lattice. The method requires an input tolerance and produces results precise up to that limit. In this way one can control the accuracy of the band structure calculation and total energy as well.
 

  1. E. Bruno, G.M. Florio, B.Ginatempo and E.S. Giuliano, J. Comput. Phys. 110, 248-255 (1994), Fast numerical calculation of KKR-CPA equation: testing new algorithms.
  2. G.A. Geist, B.Ginatempo, W.A. Shelton and G.M. Stocks, Journal of Supercomputing, 6,153 (1994), Parallel Superconductor code on the iPSC/860.
  3. E. Bruno and B.Ginatempo, Phys. Rev. B 55, 12946 (1997), Algorithms for Korringa-Kohn-Rostoker Electronic Structure Calculations in Any Bravais Lattice. (The American Physical Society: Woodbury, USA)


  Fully relativistic calculations
Regarding this point paper a, that could stay as well in the former theory subsection, has been the result of the generalisation of the Mill's algorithm, an algorithm to ensure convergenvce in the CPA equations, to the fully relativistic case. Paper c is one of my top referenced papers (thanks to Alex Zunger's group).
 

  1. B.Ginatempo and J.B.Staunton, J. Phys. F: Metal Physics, 18, 1827 (1988), The electronic structure of disordered alloys containing heavy elements - an improved calculational method illustrated by a study of a copper-gold alloy. (The Institute of Physics, Bristol,U.K.) .)
  2. G.Florio, B.Ginatempo, E.S.Giuliano and J.B.Staunton, J.Phys: Condensed Matter, 1, 8385 (1989), The electronic structure of Pd-Pt random alloys: a relativistic KKR-CPA calculation.(The Institute of Physics,Norwich,U.K.)
  3. B.Ginatempo, G.Y.Guo, W.M.Temmerman, J.B.Staunton and P.J.Durham, Phys. Rev. B 42, 2761 (1990), The electronic structure of ordered and disordered Cu alloys: Cu3Pd, Cu3Pt, Cu3Au.(The American Physical Society: Woodbury, USA)
  4. A. Stancanelli, E.S. Giuliano, G.M. Florio and B.Ginatempo, Nuovo Cimento D 12, 1431 (1990), Pseudostructural disorder in metallic solid solutions: a study of Ag-Cd and Ag-Mg random alloys. (Compositori, Bologna)
  5. G.Rapisarda, B.Ginatempo, G.M.Florio, A. Stancanelli and E.S. Giuliano, Nuovo Cimento D 12, 1453 (1990), Relativistic Korringa Kohn Rostoker CPA Theory: Extension to l=3 scattering channel. (Compositori, Bologna)
  6. G.M. Florio, B.Ginatempo, A. Stancanelli, R.Ruggeri and E.S. Giuliano, Nuovo Cimento D 12, 1509 (1990), Electronic Properties of Pt-W substitutional random alloys. (Compositori, Bologna)


  Disorder-Order transformations and phase equilibria
Most of the following papers are based on the Gyorffy and Stocks concentration functional theory. This theory allows to predict the ordering properties of an alloy by calculating the only electronic concentration-concentration direct correlation functions of the random alloys (related via the fluctuation dissipation theorem to the concentration response function). It has been shown, that the Fermi surface of the random alloy plays the key role, through the nesting mechanism, that induces Friedel like concentration oscillations. This nesting mechanism has been also demonstrated for CuPd alloys by 2D-ACAR measurements that has made directly accessible the nesting vector. Papers from h to l tell the full story of CuPd alloy, an alloy that, quite surprisingly, although made by fcc metals and that have a fcc solid solution phase, shows up a bcc atomic arrangements for the ordered alloy in a wide concentration range.
 

  1. B.Ginatempo, G.M. Florio, J.B.Staunton and B.L.Györffy, Phil. Mag B., 61, 785 (1990), On the role of electronic structure in order disorder transformation in metallic alloys. (Taylor and Francis: London, U.K.)
  2. B.L. Györffy, G.M. Stocks, B.Ginatempo, D.D. Johnson, D.M. Nicholson, F.J. Pinski, J.B. Staunton and H. Winter, Philos T. Roy. Soc. A 334, 515 (1991), Order and Disorder in metallic alloys. (The Royal Society,London,U.K.)
  3. F.J. Pinski, B.Ginatempo, D.D. Johnson, J.B. Staunton, G.M. Stocks and B.L. Györffy, Phys. Rev. Lett., 66, 766 (1991), Origins of Compositional Order in NiPt Alloys. (The American Physical Society: Woodbury, USA)
  4. F.J. Pinski, B.Ginatempo, D.D. Johnson, J.B. Staunton, G.M. Stocks and B.L. Györffy, Phys. Rev. Lett., 68, 1962 (1991) (The American Physical Society: Woodbury, USA), reply to comment.
  5. R.G. Jordan, Y. Liu, S.L. Qiu, G.M. Stocks, W.A. Shelton and B.Ginatempo, Acta metall. mater. 42, 3535, (1994), The Origin of Short-Range Order in Ag-Mg Alloys.
  6. R.G. Jordan, Y. Liu, S.L. Qiu, B.Ginatempo, E. Bruno, G.M. Stocks and W.A. Shelton, Phys. Rev. B 50, 11459 (1994), Electronic structures of disordered Ag-Mg alloys. (The American Physical Society: Woodbury, USA)
  7. J.F. Clark, F.J. Pinski, D.D. Johnson, P.A. Sterne, J.B. Staunton and B .Ginatempo, Phys. Rev. Lett. 74, 3225 (1995), Van Hove Singularity Induced L11 ordering in CuPt. (The American Physical Society: Woodbury, USA)
  8. E. Bruno and B.Ginatempo, Europhys. Lett. 42, 649 (1998), On the fcc-B2 transformation in CuPd Alloys.
  9. E. Bruno, B.Ginatempo, and E.S. Giuliano, Phys. Rev. B 63, 174107 (2001), Fermi surface incommensurate nestings and phase equilibria in Cu-Pd alloys.
  10. E. Bruno, B.Ginatempo, and E.S. Giuliano, J.Phys.: Condens. Matter 13, L711 (2001), Fermi surface origin of non-stoichiometric ordering in CuPd Alloys.
  11. I. Wilkinson, R.J. Hughes, Zs. Major, S.B. Dugdale, M.A. Alam, E. Bruno, B. Ginatempo and E.S. Giuliano, Phys. Rev. Lett., 81, 216401 (2001) Fermi surface nesting in disordered Cu1-xPdx alloys.
  12. R.V. Chepulskii, J.B. Staunton, E. Bruno, B. Ginatempo and D.D. Johnson, Phys. Rev. B 65, 064201,First-principles theory of the temperature and compositional dependence of atomic short-range order in disordered Cu-Pd alloys
  13. Zs. Major, S. B. Dugdale, T. Jarlborg, E. Bruno, B. Ginatempo, J. B. Staunton and J. Poulter J.Phys.: Condens. Matter 15, 3619 (2003) E Electronic structure of ordered and disordered Fe3Pt.
4. Fermi Surfaces and Electronic Topological Transitions

Under any given thermodynamic transformation (e.g applying pressure or changing the concentration) the metallic alloy Fermi surface can experience an Electronic Topological ransition (ETT), namely a change of shape and connectivity of the Fermi surface, because a pocket/hole can be filled/emptied, a neck open/disrupted. This abrupt change may have consequences on the alloy physical properties, as transport properties and/or equilibrium properties too. The following papers show this physical effect in detail. Paper a is a review paper, that also show the technical problems in determining accurately the alloy Fermi surfaces.
 
  1. E. Bruno, B.Ginatempo, E.S. Giuliano, A. V. Ruban and Yu. Kh. Vekilov, Phys. Rep. 249, 353 (1994), Fermi Surfaces and Electronic Topological Transitions in Metallic Solid Solutions. (Elsevier Science Publishers: Amsterdam, The Netherlands)
  2. E. Bruno, B.Ginatempo and E.S. Giuliano, Phys. Rev. B 52, 14544, (1995), Fermi Surfaces and Electronic Topological Transitions in Metallic Random Alloys (I): the influence on equilibrium properties. (The American Physical Society: Woodbury, USA)
  3. E. Bruno, B.Ginatempo and E.S. Giuliano Phys. Rev. B 52, 14557 (1995), Fermi Surfaces and Electronic Topological Transitions in Metallic Random Alloys (II): AgcPd1-c. (The American Physical Society: Woodbury, USA)
  4. E. Bruno, B.Ginatempo, and E.S. Giuliano, Nuovo Cimento D 20, 1367 (1998), Quasi-Particle Lifetimes effects on Deviations from Vegard's rule in AgPd disordered alloys.
5. Magnetic multilayers

The discovery that metallic multilayer systems can show the Giant Magneto Resistance (GMR) effect has been very important from the point of view of technological applications (e.g. recording). From the theoretical point of view, their relevance is the fact that, in a magnet-nonmagnet-magnet trilayer system the exchange coupling between the magnetic slabs oscillates (OEC)from ferro to antiferromagnetic on changing the number of layers of the spacer metal. On the basis of an asymptotic theory, along the lines of the De Haas-Van Alphen effect theory, one can show that the oscillations periodicities are related to some relevant Fermi surface caliper vector. The following paper show how also systems as Fe/CrxV1-x/Fe or Fe/CrxMo1-x/Fe that were thought as exceptions to the above rule actually completely satisfy it.
 
  1. N.N. Lathiotakis, B.L Györffy, B.Ginatempo and E. Bruno, J. Magn. Magn. Mat., 198-199, 447 (1999), The dilemma of the rigid band model and the oscillatory exchange coupling across Cr1-xMox alloy spacers.
  2. N.N. Lathiotakis, B.L Györffy, E. Bruno, B.Ginatempo and S.S.P. Parkin, Phys Rev. Lett. 83, 215 (1999), Oscillatory Exchange Coupling across Cr1-xVx alloy spacers.
  3. N.N. Lathiotakis, B.L Györffy, E. Bruno, B.Ginatempo, Phys Rev. B 62, 9005 (2000) Oscillatory Exchange Coupling across Cu(1-x)Nix spacers: A first principles calculation of the amplitudes and phases using asymptotic analysis
6. Magnetic Dynamic susceptibility in random alloys

Within the Time Dependent Density Functional Theory (TD-DFT), within the Adiabatic Local Density Approximation (ALDA), it is possible to derive a formulation for the calculation of the magnetic dynamic response function. This requires very accurate Brillouin Zone integrals, for the calculations of the Kohn-Sham zero energy response function, as the convolution of the multiple scattering path operator. The following results deal with the spin waves in Cr and its alloys, where the famous incommensurate Fermi surface nesting mechanism proposed by Fawcett finds its computational proof, and for the famous paramagnons problem of Pd.
 
  1. J.B. Staunton, J. Poulter, B.Ginatempo, E. Bruno, and D.D. Johnson, Phys. Rev. Lett. 82, 3340 (1999), Incommensurate and commensurate antiferromagnetic spin fluctuations in Cr and Cr-alloys, from ab initio dynamical spin susceptibility calculations. (The American Physical Society: Woodbury, USA).
  2. J.B. Staunton, J. Poulter, F.J. Pinski, B.Ginatempo, E. Bruno, and D.D. Johnson, in $\psi_k$ Newsletter, December 1999, Scientific Highlight of the month, Spin Fluctuations in nearly magnetic metals from ab initio spin dynamical susceptibility calculations.
  3. J.B. Staunton, J. Poulter, B.Ginatempo, E. Bruno, and D.D. Johnson, Phys. Rev. B 62, 1075 (2000), Spin Fluctuations in nearly magnetic metals from ab initio spin dynamical susceptibility calculations: Application to Pd and Cr95V5.
  4. V. Thakor, J.B. Staunton, J. Poulter, S. Ostanin, B.Ginatempo and Ezio Bruno, Phys. Rev. B 67, 180450(R) (2003), Ab initio calculations of incommensurate antiferromagnetic spin fluctuations in hcp iron under pressure.
  5. V. Thakor, J.B. Staunton, J. Poulter, S. Ostanin, B.Ginatempo and Ezio Bruno, Phys. Rev. B 68, 184412 (2003), First-principles relativistic theory of the magnetic response of paramagnetic metals: Application to yttrium and scandium
7. Magneto Crystalline Anisotropy

This is one of the most challenging calculation for a solids state physicist. The order of such quantity is few tens of microelectron volts, well beyond the accuracy of any actual total energy calculation. However one can write down a response theory for such quantity and evaluate it. A quite interesting thing is the relation that such phenomenon has with the magnetostriction effect, pointed out in the following papers.
 
  1. S.S.A. Razee, J.B. Staunton, F.J. Pinski, B.Ginatempo, and E. Bruno, J. Appl. Phys. 83, 7097 (1998), Magnetic anisotropies of Ni-Pt and Co-Pt alloys.
  2. S.S.A. Razee, J.B. Staunton, F.J. Pinski, B.Ginatempo, and E. Bruno, Phil. Mag. B 78, 611 (1998), Effect of atomic short-range order on magnetic anisotropy.
  3. S.S.A. Razee, J.B. Staunton, B.Ginatempo, F.J. Pinski, and E. Bruno, Phys. Rev. Lett. 82, 5369 (1999), An ab initio theoretical description of the interrelation between magnetocrystalline anisotropy and atomic short-range order.
  4. S.S.A. Razee, J.B. Staunton, B.Ginatempo, E. Bruno, and F. J. Pinski, Phys. Rev. B 64, 014411 (2001), Ab initio theoretical description of the dependence of magnetocrystalline anisotropy on both compositional order and lattice distortion in transition metal alloys.
  5. S.S.A. Razee, J.B. Staunton, D.D. Johnson, B.Ginatempo, and E. Bruno, J. Phys.: Condens. Matter 13 8153 (2001) Correlation of magnetocrystalline anisotropy of Fe0.5Pd0.5 alloy with chemical order.
  6. S.S.A. Razee, J.B. Staunton, B.Ginatempo, E. Bruno and F.J. Pinski, J. Phys.: Condens. Matter 13 8565 (2001) The effects of magnetic annealing of transition metal alloys deduced from ab initio electronic structure calculations.
  7. S. Ostanin, J. B. Staunton, J. Poulter, B. Ginatempo and Ezio Bruno, J. Appl. Phys. 93, 453 (2003) Magnetocrystalline anisotropy and compositional order in Fe0.5Pt0.5: Calculations from an ab initio electronic model .
8. Magnetic instability

The recent discovery of the coexistence of magnetism and superconductivity has open a new scenario about the current understanding of these phenomena. This occurs apparently occurs when the system is close to the magnetic quantum critical point .A related phenomenon is the increase of superconducting temperature when increasing the interatomic distance of metal atoms. This geometrical enhancement of the magnetic and superconducting properties might have the explanation suggested in the following paper.
 
    E. Bruno, B.Ginatempo and J. B. Staunton, Phys. Rev. B 65, 092503 (2002), ZrZn2: Geometrical enhancement of local density of states and quantum design of magnetic instabilities.
Beniamino Ginatempo

2004-02-11