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Philosophical Magazine B Volume 51, 1985 - Issue 2: Theory of Localized Electronic States in Condensed Matter
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Original Articles

Ab initio calculations for impurities in Cu and Ni

P. H. Dederichs Institut für Festkörperforschung, Kernforschungsanlage Jülich, Postfach 1913, D-5170, Jülich, F.R. Germany
,
R. Zeller Institut für Festkörperforschung, Kernforschungsanlage Jülich, Postfach 1913, D-5170, Jülich, F.R. Germany
,
H. Akai Nara Medical University, Nara, Japan
,
S. Blügel Institut für Festkörperforschung, Kernforschungsanlage Jülich, Postfach 1913, D-5170, Jülich, F.R. Germany
&
A. Oswald Institut für Festkörperforschung, Kernforschungsanlage Jülich, Postfach 1913, D-5170, Jülich, F.R. Germany
Pages 137-150 | Received 07 Aug 1984, Accepted 21 Sep 1984, Published online: 27 Sep 2006

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P. Léonard & N. Stéfanou. (1985) Self-consistent electronic structure of dilute metallic alloys by the LMTO-ASA method. Philosophical Magazine B 51:2, pages 151-160.
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Articles from other publishers (35)

S.K. Mohanta, C.R. Dash & S.N. Mishra. (2019) Emergence of uranium moment in U Pd1− binary alloy: An ab initio investigation. Solid State Communications 289, pages 47-50.
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S.K. Mohanta, S. Cottenier & S.N. Mishra. (2016) Electronic structure and magnetic properties of dilute U impurities in metals. Journal of Magnetism and Magnetic Materials 405, pages 107-116.
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C. Zecha, H. Ebert, H. Akai, P. H. Dederichs & R. Zeller. 2005. HFI/NQI 2004. HFI/NQI 2004 59 62 .
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C. Zecha, H. Ebert, H. Akai, P. H. Dederichs & R. Zeller. (2005) Hyperfine Fields of Light Interstitial Impurities in Ni. Hyperfine Interactions 158:1-4, pages 59-62.
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K. Potzger, A. Weber, H. H. Bertschat, W.-D. Zeitz & M. Dietrich. (2002) Coordination-Number Dependence of Magnetic Hyperfine Fields at on Ni Surfaces . Physical Review Letters 88:24.
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Joginder Singh GalsinJoginder Singh Galsin. 2002. Impurity Scattering in Metallic Alloys. Impurity Scattering in Metallic Alloys 417 474 .
Hiroki Fukuda & Hisazumi Akai. (2001) First Principles Calculation of Hyperfine Fields of Li Impurities in Ferromagnetic Nickel. Journal of the Physical Society of Japan 70:7, pages 2019-2024.
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G. Seewald, E. Hagn, E. Zech, K. Freitag & P. Herzog. (1999) Nuclear magnetic resonance of in hcp Co . Physical Review B 59:21, pages 13948-13953.
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H.H Bertschat. (1999) Interface magnetism using radioactive atoms. Journal of Magnetism and Magnetic Materials 198-199, pages 636-640.
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H. P. J. Wijn. 1997. 3d, 4d and 5d Elements, Alloys and Compounds. 3d, 4d and 5d Elements, Alloys and Compounds 40 45 .
H. Granzer, H. H. Bertschat, H. Haas, W.-D. Zeitz, J. Lohmüller & G. Schatz. (1996) Magnetic Hyperfine Fields at Se Adatoms on Ni Surfaces. Physical Review Letters 77:20, pages 4261-4264.
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D. E. Ellis & J. Guo. 1996. Density Functional Theory of Molecules, Clusters, and Solids. Density Functional Theory of Molecules, Clusters, and Solids 263 309 .
Yong Kong, Rongjie Zhou & Fashen Li. (2006) Calculated Electronic Structure and Hyperfine Interactions on γ′Fe 4 Z (Z  N, C) . physica status solidi (b) 192:1, pages 87-94.
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S. Seeger, H.H. Bertschat, R. Kowallik, H. Waldmann, W.-D. Zeitz, D. Forkel-Wirth & H. Haas. (1995) Deviation of the impurity magnetic hyperfine fields at Br and Kr from the host lattice magnetization in Ni. Physics Letters A 201:4, pages 349-352.
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Pawan Singh, S. Prakash & J. Singh. (1994) Electric-field gradient in dilute V-based alloys. Physical Review B 49:17, pages 12259-12261.
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B. Lindgren & A. Ghandour. (1993) Calculations of the Cd hyperfine field andEFG on Ni surfaces. Hyperfine Interactions 78:1-4, pages 291-294.
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Vladimir A. Gubanov, Alexandr I. Liechtenstein & Andrei V. PostnikovVladimir A. Gubanov, Alexandr I. Liechtenstein & Andrei V. Postnikov. 1992. Magnetism and the Electronic Structure of Crystals. Magnetism and the Electronic Structure of Crystals 115 157 .
Jaime DuarteJr.Jr. & Sonia Frota-Pessôa. (1991) Real-space spin-polarized first-principles calculations of an Fe impurity in a Cu host. Journal of Applied Physics 70:10, pages 6568-6570.
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J. Voigt, X. L. Ding, R. Fink, G. Krausch, B. Luckscheiter, R. Platzer, U. Wöhrmann & G. Schatz. (1991) Monolayer-resolved detection of magnetic hyperfine fields at Cu/Ni(111) interfaces. Physical Review Letters 66:24, pages 3199-3202.
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V. S. Stepanyuk, A. Szasz, A. A. Katsnelson, A. V. Kozlov & O. V. Farberovich. (1990) Application of LAPW and Green-function methods to calculation of electronic structure of crystal defects. Zeitschrift f�r Physik B Condensed Matter 81:3, pages 391-396.
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O. Jepsen & F. Herman. (1990) Electronic and magnetic structure of the ternary fcc Mn-Fe-Ni system. I. Ordered compounds. Physical Review B 41:10, pages 6801-6810.
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V. A. Gubanov. (1989) Solid-state quantum chemistry and materials science: Solid compounds of the d and f elements. Journal of Structural Chemistry 29:6, pages 837-847.
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M. Mohsen & F. Pleiter. (1988) Magnetic hyperfine field of Se in nickel measured by means of the DPAC method. Hyperfine Interactions 39:2, pages 123-128.
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V. I. Anisimov, V. P. Antropov, A. I. Liechtenstein, V. A. Gubanov & A. V. Postnikov. (1988) Electronic structure and magnetic properties of 3d impurities in ferromagnetic metals . Physical Review B 37:10, pages 5598-5602.
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V.I. Anisimov, V.P. Antropov, V.A. Gubanov, M.I. Katsnel'son & A.I. Likhtenshtein. (1988) Band theory of magnetism in metals and alloys. Uspekhi Fizicheskih Nauk 155:8, pages 721-724.
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J. Wouters, N. Severijns, D. Vandeplassche, E. Van Walle & L. Vanneste. (1987) The hyperfine field of Francium in iron and the systematics of alkaline fields. Physics Letters A 124:6-7, pages 377-380.
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Z. Badirkhan & J. Khalifeh. (1987) Charge Transfer in Nickel–Hydrogen System. physica status solidi (b) 143:2, pages 637-645.
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S. Blügel, H. Akai, R. Zeller & P. H. Dederichs. (1987) Hyperfine fields of 3 d and 4 d impurities in nickel . Physical Review B 35:7, pages 3271-3283.
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D.G. Rancourt, H.H.A. Smit & R.C. Thiel. (1987) Metastable compositionally and magnetically modulated state of Fe-Ni Invar and the associated super-moment dynamics from Mössbauer spectroscopy. Journal of Magnetism and Magnetic Materials 66:1, pages 121-152.
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Alexis P. Malozemoff. (1986) Anisotropic magnetoresistance with cubic anisotropy and weak ferromagnetism: A new paradigm. Physical Review B 34:3, pages 1853-1863.
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M. E. Elzain, D. E. Ellis & Diana Guenzburger. (1986) Electronic structure and magnetic and hyperfine properties of Fe/V sandwiches and interfaces. Physical Review B 34:3, pages 1430-1441.
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S.K. Rattan, S. Prakash & J. Singh. (1986) Electric field gradient in dilute vanadium alloys. Physics Letters A 114:5, pages 279-283.
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