nach oben

Journal of Nanoparticle Research

Erschienen in:

01.03.2018 | Research Paper

Charge-doping and chemical composition-driven magnetocrystalline anisotropy in CoPt core-shell alloy clusters

verfasst von: P. Ruiz-Díaz, M. Muñoz-Navia, J. Dorantes-Dávila

Erschienen in: Journal of Nanoparticle Research | Ausgabe 3/2018

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config

KI-gestützte Suche

Aus

Abstract

Charge-doping together with 3d-4d alloying emerges as promising mechanisms for tailoring the magnetic properties of low-dimensional systems. Here, throughout ab initio calculations, we present a systematic overview regarding the impact of both electron(hole) charge-doping and chemical composition on the magnetocrystalline anisotropy (MA) of CoPt core-shell alloy clusters. By taking medium-sized Co_nPt_m (N = n + m = 85) octahedral-like alloy nanoparticles for some illustrative core-sizes as examples, we found enhanced MA energies and large induced spin(orbital) moments in Pt-rich clusters. Moreover, depending on the Pt-core-size, both in-plane and off-plane directions of magnetization are observed. In general, the MA of these binary compounds further stabilizes upon charge-doping. In addition, in the clusters with small MA, the doping promotes magnetization switching. Insights into the microscopical origins of the MA behavior are associated to changes in the electronic structure of the clusters.

Vorheriger Artikel Theranostic nanoplatform based on polypyrrole nanoparticles for photoacoustic imaging and photothermal therapy

Nächster Artikel Activated carbon-supported CuO nanoparticles: a hybrid material for carbon dioxide adsorption

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Barcaro G, Ferrando R, Fortunelli A, Rossi G (2010) Exotic supported copt nanostructures: from clusters to wires. J Phys Chem Lett 1(1):111–115. https://doi.org/10.1021/jz900076m CrossRef

Bergman A, Hellsvik J, Bessarab P F, Delin A (2016) Spin relaxation signature of colossal magnetic anisotropy in platinum atomic chains. Sci Rep 6:36,872. https://doi.org/10.1038/srep36872 CrossRef

Blöchl P E (1994) Projector augmented-wave method. Phys Rev B 50:17,953–17,979. https://doi.org/10.1103/PhysRevB.50.17953 CrossRef

Bruno P (1989) Tight-binding approach to the orbital magnetic moment and magnetocrystalline anisotropy of transition-metal monolayers. Phys Rev B 39:865–868. https://doi.org/10.1103/PhysRevB.39.865 CrossRef

Cui P, Choi J H, Lan H, Cho J H, Niu Q, Yang J, Zhang Z (2016) Quantum stability and magic lengths of metal atom wires. Phys Rev B 93:224,102. https://doi.org/10.1103/PhysRevB.93.224102 CrossRef

Dasa T R, Ignatiev P A, Stepanyuk V S (2012) Effect of the electric field on magnetic properties of linear chains on a Pt(111) surface. Phys Rev B 85:205,447. https://doi.org/10.1103/PhysRevB.85.205447 CrossRef

Dasa T R, Ruiz-Díaz P, Brovko OO, Stepanyuk VS (2013) Tailoring magnetic properties of metallic thin films with quantum well states and external electric fields. Phys Rev B 88:104,409. https://doi.org/10.1103/PhysRevB.88.104409 CrossRef

Díaz-Sánchez LE, Dorantes-Dávila J, Pastor G M (2013) Local and chemical environment dependence of the magnetic properties of corh core-shell nanoparticles. Phys Rev B 88:134,423. https://doi.org/10.1103/PhysRevB.88.134423 CrossRef

Donati F, Gragnaniello L, Cavallin A, Natterer F D, Dubout Q, Pivetta M, Patthey F, Dreiser J, Piamonteze C, Rusponi S, Brune H (2014) Tailoring the magnetism of co atoms on graphene through substrate hybridization. Phys Rev Lett 113:177,201. https://doi.org/10.1103/PhysRevLett.113.177201 CrossRef

Donati F, Rusponi S, Stepanow S, Wäckerlin C, Singha A, Persichetti L, Baltic R, Diller K, Patthey F, Fernandes E, Dreiser J, Šljivančanin ž, Kummer K, Nistor C, Gambardella P, Brune H (2016) Magnetic remanence in single atoms. Science 352(6283):318–321. https://doi.org/10.1126/science.aad9898 CrossRef

Dreizler R M, Gross E K U (1990) Density functional theory. Springer, Berlin, pp 186–187CrossRef

Gerstmann U, Deák P, Rurali R, Aradi B, Frauenheim T, Overhof H (2003) Charge corrections for supercell calculations of defects in semiconductors. Phys B Condens Matter 340–342:190–194. https://doi.org/10.1016/j.physb.2003.09.111. Proceedings of the 22nd International Conference on Defects in Semiconductors. http://www.sciencedirect.com/science/article/pii/S0921452603007592 CrossRef

Gleiter H, Weissmüller J, Wollersheim O, Würschum R (2001) Nanocrystalline materials: a way to solids with tunable electronic structures and properties. Acta Mater 49(4):737–745CrossRef

Gruner M E (2010) Core-shell morphologies of fept and copt nanoparticles: an ab initio comparison. J Phys Conf Ser 200(7):072,039. http://stacks.iop.org/1742-6596/200/i=7/a=072039 CrossRef

Gruner M E, Rollmann G, Entel P, Farle M (2008) Multiply twinned morphologies of fept and copt nanoparticles. Phys Rev Lett 100:087,203CrossRef

Hohenberg P, Kohn W (1964) Inhomogeneous electron gas. Phys Rev 136:B864–B871. https://doi.org/10.1103/PhysRev.136.B864 CrossRef

Hsu P J, Kubetzka A, Finco A, Romming N, von Bergmann K, Wiesendanger R (2017) Electric-field-driven switching of individual magnetic skyrmions. Nat Nano 12(2):123–126. https://doi.org/10.1038/nnano.2016.234 CrossRef

Jungwirth T, Marti X, Wadley P, Wunderlich J (2016) Antiferromagnetic spintronics. Nat Nanotechnol 11:231–241CrossRef

Khajetoorians AA, Wiebe J, Chilian B, Wiesendanger R (2011) Realizing all-spin-based logic operations atom by atom. Science 332(6033):1062–1064. https://doi.org/10.1126/science.1201725. http://www.sciencemag.org/content/332/6033/1062.abstract CrossRef

Khajetoorians A A, Wiebe J, Chilian B, Lounis S, Blügel S, Wiesendanger R (2012) Atom-by-atom engineering and magnetometry of tailored nanomagnets. Nat Phys 8(6):497–503CrossRef

Kohn W, Sham L J (1965) Self-consistent equations including exchange and correlation effects. Phys Rev 140:A1133–A1138. https://doi.org/10.1103/PhysRev.140.A1133 CrossRef

Kresse G, Furthmüller J (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11,169–11,186. https://doi.org/10.1103/PhysRevB.54.11169 CrossRef

Kresse G, Hafner J (1993) Ab initio molecular dynamics for liquid metals. Phys Rev B 47:558–561. https://doi.org/10.1103/PhysRevB.47.558 CrossRef

Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B 59:1758–1775. https://doi.org/10.1103/PhysRevB.59.1758 CrossRef

Li J, Wang H, Hu J, Wu R Q (2016) Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet. J Chem Phys 144(20):204,704. https://doi.org/10.1063/1.4950952 CrossRef

Loth S, Baumann S, Lutz CP, Eigler DM, Heinrich AJ (2012) Bistability in atomic-scale antiferromagnets. Science 335(6065):196–199. https://doi.org/10.1126/science.1214131. http://science.sciencemag.org/content/335/6065/196 CrossRef

Meier F, Zhou L, Wiebe J, Wiesendanger R (2008) Revealing magnetic interactions from single-atom magnetization curves. Science 320(5872):82–86. https://doi.org/10.1126/science.1154415. http://www.sciencemag.org/content/320/5872/82.abstract CrossRef

Mermin N D (1965) Thermal properties of the inhomogeneous electron gas. Phys Rev 137:A1441–A1443. https://doi.org/10.1103/PhysRev.137.A1441 CrossRef

Muñoz-Navia M, Dorantes-Dávila J, Respaud M, Pastor G M (2009) Theoretical study of the magnetic moments and anisotropy energy of corh nanoparticles. Eur Phys J D 52(1):171–174. https://doi.org/10.1140/epjd/e2009-00026-8 CrossRef

Muñoz-Navia M M, Dorantes-Dávila J, Zitoun D, Amiens C, Jaouen N, Rogalev A, Respaud M, Pastor G M (2009) Tailoring the magnetic anisotropy in corh nanoalloys. Appl Phys Lett 95(23):233,107. https://doi.org/10.1063/1.3272000 CrossRef

Panizon E, Ferrando R (2016) Strain-induced restructuring of the surface in core@shell nanoalloys. Nanoscale 8:15,911–15,919. https://doi.org/10.1039/C6NR03560D CrossRef

Parr R G, Yang W (1989) Density-functional theory of atoms and molecules. Oxford University Press, Oxford, pp 186–194

Perdew J P (1991) Unified theory of exchange and correlation beyond the local density approximation. In: Ziesche P, Eschrig H (eds) Electronic structure of solids 91’, vol 17. Akademie Verlag, Berlin, pp 11–20

Pianet V, Urdampilleta M, Colin T, Clérac R, Coulon C (2016) Magnetic tetrastability in a spin chain. Phys Rev B 94:054,431. https://doi.org/10.1103/PhysRevB.94.054431 CrossRef

Rau IG, Baumann S, Rusponi S, Donati F, Stepanow S, Gragnaniello L, Dreiser J, Piamonteze C, Nolting F, Gangopadhyay S, Albertini OR, Macfarlane RM, Lutz CP, Jones BA, Gambardella P, Heinrich AJ, Brune H (2014) Reaching the magnetic anisotropy limit of a 3d metal atom. Science 344(6187):988–992. https://doi.org/10.1126/science.1252841. http://science.sciencemag.org/content/344/6187/988.full.pdf CrossRef

Rossi G, Ferrando R, Mottet C (2008) Structure and chemical ordering in copt nanoalloys. Faraday Discuss 138:193–210. https://doi.org/10.1039/B705415G CrossRef

Ruiz-Díaz P, Stepanyuk V S (2014) Effects of surface charge doping on magnetic anisotropy in capping 3d/5d(4d) multilayers deposited on highly polarizable substrates. J Phys D Appl Phys 47(10):105,006. http://stacks.iop.org/0022-3727/47/i=10/a=105006 CrossRef

Ruiz-Díaz P, Dasa TR, Stepanyuk VS (2013) Tuning magnetic anisotropy in metallic multilayers by surface charging: an ab initio study. Phys Rev Lett 110:267,203. https://doi.org/10.1103/PhysRevLett.110.267203 CrossRef

Ruiz-Díaz P, Stepanyuk O V, Stepanyuk V S (2015) Effects of interatomic coupling on magnetic anisotropy and order of spins on metallic surfaces. J Phys Chem C 119(46):26,237–26,241. https://doi.org/10.1021/acs.jpcc.5b10211 CrossRef

Sahoo S, Hucht A, Gruner M E, Rollmann G, Entel P, Postnikov A, Ferrer J, Fernández-Seivane L, Richter M, Fritsch D, Sil S (2010) Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: a density functional theory study. Phys Rev B 82:054,418. https://doi.org/10.1103/PhysRevB.82.054418 CrossRef

Schnur S, Groß A (2011) Challenges in the first-principles description of reactions in electrocatalysis. Catal Today 165(1):129–137. Theoretical Catalysis for Energy Production and Utilization: from First Principles Theory to MicrokineticsCrossRef

Serrate D, Yoshida Y, Moro-Lagares M, Kubetzka A, Wiesendanger R (2016) Spin-sensitive shape asymmetry of adatoms on noncollinear magnetic substrates. Phys Rev B 93:125,424. https://doi.org/10.1103/PhysRevB.93.125424 CrossRef

Singha A, Donati F, Wäckerlin C, Baltic R, Dreiser J, Pivetta M, Rusponi S, Brune H (2016) Magnetic hysteresis in trimers on Cu(111). Nano Lett 16(6):3475–3481. https://doi.org/10.1021/acs.nanolett.5b05214 CrossRef

Strasser P, Koh S (2010) Lattice-strain control of the activity in dealloyed core-shell fuel cell catalysts. Nat Chem 2:454–460. https://doi.org/10.1038/nchem.623 CrossRef

Sun S, Murray CB, Weller D, Folks L, Moser A (2000) Monodisperse fept nanoparticles and ferromagnetic fept nanocrystal superlattices. Science 287 (5460):1989–1992. https://doi.org/10.1126/science.287.5460.1989. http://science.sciencemag.org/content/287/5460/1989 CrossRef

Wang D, Wu R, Freeman A J (1993) First-principles theory of surface magnetocrystalline anisotropy and the diatomic-pair model. Phys Rev B 47:14,932–14,947. https://doi.org/10.1103/PhysRevB.47.14932 CrossRef

Yin S, Moro R, Xu X, de Heer W A (2007) Magnetic enhancement in cobalt-manganese alloy clusters. Phys Rev Lett 98:113,401CrossRef

Titel: Charge-doping and chemical composition-driven magnetocrystalline anisotropy in CoPt core-shell alloy clusters
verfasst von: P. Ruiz-Díaz
M. Muñoz-Navia
J. Dorantes-Dávila
Publikationsdatum: 01.03.2018
Verlag: Springer Netherlands
Erschienen in: Journal of Nanoparticle Research / Ausgabe 3/2018
Print ISSN: 1388-0764
Elektronische ISSN: 1572-896X
DOI: https://doi.org/10.1007/s11051-018-4164-z

Premium Partner

Marktübersichten

Die im Laufe eines Jahres in der „adhäsion“ veröffentlichten Marktübersichten helfen Anwendern verschiedenster Branchen, sich einen gezielten Überblick über Lieferantenangebote zu verschaffen.

Zur Marktübersicht

Springer Professional

Abstract

Bitte loggen Sie sich ein, um Zugang zu Ihrer Lizenz zu erhalten.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Springer Professional "Technik"

Weitere Artikel der Ausgabe 3/2018

Shape matters: Cr(VI) removal using iron nanoparticle impregnated 1-D vs 2-D carbon nanohybrids prepared by ultrasonic spray pyrolysis

Can disc diffusion susceptibility tests assess the antimicrobial activity of engineered nanoparticles?

Preparation, characterization, and in vitro activity evaluation of triblock copolymer-based polymersomes for drugs delivery

Engineering CNDP’s of dendrimers containing phosphorous interior compositions to produce new emerging properties

Theranostic nanoplatform based on polypyrrole nanoparticles for photoacoustic imaging and photothermal therapy

A novel one-pot room-temperature synthesis route to produce very small photoluminescent silicon nanocrystals

Premium Partner

Marktübersichten