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Philosophical Magazine Volume 88, 2008 - Issue 18-20: Materials Science February 2008 (Peter Weinberger Symposia)
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Original Articles

First-principles investigations of multimetallic transition metal clusters

P. Entel Physics Department and Center for Nanointegration CENIDE, University of Duisburg-Essen, 47048 Duisburg, GermanyCorrespondence[email protected]
,
M.E. Gruner Physics Department and Center for Nanointegration CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany
,
G. Rollmann Physics Department and Center for Nanointegration CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany
,
A. Hucht Physics Department and Center for Nanointegration CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany
,
S. Sahoo Physics Department and Center for Nanointegration CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany
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A.T. Zayak Institute for Computational Engineering and Science, 201 East 24th Street ACES, University of Texas at Austin, Austin, Texas, 78712, USA
,
H.C. Herper Physics Department and Center for Nanointegration CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany
&
A. Dannenberg Physics Department and Center for Nanointegration CENIDE, University of Duisburg-Essen, 47048 Duisburg, Germany
 show all
Pages 2725-2738 | Received 21 May 2008, Accepted 07 Aug 2008, Published online: 03 Dec 2010

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S. Nouemo, F. Tchoffo, J.M.B. Ndjaka & S. Domngang. (2016) Global minima of iron clusters described by Gupta potential. Journal of Taibah University for Science 10:3, pages 430-436.
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Kuppusamy Pushpanathan, Ramalingam Chokkalingam, Rajasabai Senthurpandi & Manickam Mahendran. (2011) Effect of Annealing on Transformation Temperature and Magnetization in the Ni–Mn–Ga Alloy. Materials and Manufacturing Processes 26:2, pages 223-229.
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J.A. Elliott, Y. Shibuta & D.J. Wales. (2009) Global minima of transition metal clusters described by Finnis–Sinclair potentials: A comparison with semi-empirical molecular orbital theory. Philosophical Magazine 89:34-36, pages 3311-3332.
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Articles from other publishers (23)

Bikram Kumar Das, Anibrata Banerjee, Arnab Das & Kalyan Kumar Chattopadhyay. (2023) Graphyne supported Co13, Fe13 and Ni13 nano-cluster as efficient electrocatalysts for nitrogen reduction reaction: A first principles study. Catalysis Today 423, pages 113906.
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Pinaki Saha & Minh Tho Nguyen. (2023) Electron density mapping of boron clusters via convolutional neural networks to augment structure prediction algorithms . RSC Advances 13:44, pages 30743-30752.
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A. Tamion, F. Tournus, N. Blanc, A. Hillion, O. Proux, A. Rogalev, F. Wilhelm, J. Gutiérrez Valdés, L. E. Díaz-Sánchez, K. Sato, G. M. Pastor & V. Dupuis. (2022) Comparison of magnetic anisotropy and structural properties in chemically ordered CoPt and FePt nanoparticles. Physical Review B 106:10.
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Lei Li, Rao Huang, Yuhua Wen & Roy L. Johnston. (2020) Structural and magnetic properties of Co-Pt clusters: A spin-polarized density functional study. Journal of Magnetism and Magnetic Materials 503, pages 166651.
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Pin W. Koh, Tiem L. Yoon, Thong L. Lim, Yee H. R. Chang & Eong S. Goh. (2019) Generation of ground‐state structures and electronic properties of ternary Al x Ti y Ni z clusters ( x  +  y + z = 6) with a two‐stage density functional theory global search approach . International Journal of Quantum Chemistry 120:2.
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Pin Wai Koh, Tiem Leong Yoon, Thong Leng Lim & Yee Hui Robin Chang. (2018) The generation of ground‐state structures and electronic properties of ternary Al k Ti l Ni m clusters ( k  +  l  +  m  = 4) from a two‐stage density functional theory global searching approach . International Journal of Quantum Chemistry 119:10, pages e25884.
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Dil K. Limbu, Raymond Atta-Fynn, David A. Drabold, Stephen R. Elliott & Parthapratim Biswas. (2017) Structural properties of transition-metal clusters via force-biased Monte Carlo and ab initio calculations: A comparative study . Physical Review B 96:17.
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Ana Mejía-López, Johan Mazo-Zuluaga & José Mejía-López. (2016) Sequential oxygen chemisorption on Fe 13 clusters: from first-principles to practical insights . Journal of Physics: Condensed Matter 28:48, pages 485002.
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Tian-E Fan, Gui-Fang Shao, Qing-Shuang Ji, Ji-Wen Zheng, Tun-dong Liu & Yu-Hua Wen. (2016) A multi-populations multi-strategies differential evolution algorithm for structural optimization of metal nanoclusters. Computer Physics Communications 208, pages 64-72.
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Tun-Dong Liu, Tian-E Fan, Ji-Wen Zheng, Gui-Fang Shao, Qiao Sun & Yu-Hua Wen. (2016) Structural optimization of Fe nanoclusters based on multi-populations differential evolution algorithm. Journal of Nanoparticle Research 18:3.
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Bheema Lingam Chittari & Vijay Kumar. (2015) Atomic structure, alloying behavior, and magnetism in small Fe-Pt clusters. Physical Review B 92:12.
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V. Dupuis, G. Khadra, S. Linas, A. Hillion, L. Gragnaniello, A. Tamion, J. Tuaillon-Combes, L. Bardotti, F. Tournus, E. Otero, P. Ohresser, A. Rogalev & F. Wilhelm. (2015) Magnetic moments in chemically ordered mass-selected CoPt and FePt clusters. Journal of Magnetism and Magnetic Materials 383, pages 73-77.
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Bheema Lingam Chittari & Vijay Kumar. (2015) Ab Initio Studies of Segregation, Ordering, and Magnetic Behavior in (Fe–Pt) n , n = 55 and 147: Design of Fe 75 Pt 72 Nanoparticle . The Journal of Physical Chemistry C 119:20, pages 11062-11071.
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Wei Zhou, Maolin Bo, Yan Wang, Yongli Huang, Can Li & Chang Q. Sun. (2015) Local bond-electron-energy relaxation of Mo atomic clusters and solid skins. RSC Advances 5:38, pages 29663-29668.
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V. Dupuis, G. Khadra, A. Hillion, A. Tamion, J. Tuaillon-Combes, L. Bardotti & F. Tournus. (2015) Intrinsic magnetic properties of bimetallic nanoparticles elaborated by cluster beam deposition. Physical Chemistry Chemical Physics 17:42, pages 27996-28004.
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V Dupuis & A Tamion. (2014) Atomic relaxation effects on magnetism in CoPt nanoalloys. Journal of Physics: Conference Series 521, pages 012001.
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Teruya Shinjo. 2014. Nanomagnetism and Spintronics. Nanomagnetism and Spintronics 1 14 .
F. Tournus, K. Sato, T. Epicier, T. J. Konno & V. Dupuis. (2013) Multi- Domain CoPt and FePt Nanoparticles Revealed by Electron Microscopy . Physical Review Letters 110:5.
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Sandra González-Gallardo, Timo Bollermann, Roland A. Fischer & Ramaswamy Murugavel. (2012) Cyclopentadiene Based Low-Valent Group 13 Metal Compounds: Ligands in Coordination Chemistry and Link between Metal Rich Molecules and Intermetallic Materials. Chemical Reviews 112:6, pages 3136-3170.
Crossref
Çetin Kılıç. (2011) Energy-distance relation for fcc transition metal nanocrystals. EPL (Europhysics Letters) 93:2, pages 26004.
Crossref
Sanjubala Sahoo, Alfred Hucht, Markus E. Gruner, Georg Rollmann, Peter Entel, Andrei Postnikov, Jaime Ferrer, Lucas Fernández-Seivane, Manuel Richter, Daniel Fritsch & Shreekantha Sil. (2010) Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study. Physical Review B 82:5.
Crossref
Markus Ernst Gruner & Peter Entel. (2009) Simulating functional magnetic materials on supercomputers. Journal of Physics: Condensed Matter 21:29, pages 293201.
Crossref
Teruya Shinjo. 2009. Nanomagnetism and Spintronics. Nanomagnetism and Spintronics 1 13 .

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