Effect of H adsorption on the magnetic properties of an Fe island on a W(110) surface
Melander, M., & Jonsson, H. (2019). Effect of H adsorption on the magnetic properties of an Fe island on a W(110) surface. Physical Review B, 100(17), Article 174431. https://doi.org/10.1103/PhysRevB.100.174431
Julkaistu sarjassa
Physical Review BPäivämäärä
2019Tekijänoikeudet
© 2019 American Physical Society
Low-dimensional materials, such as ultrathin films, nanoislands, and wires, are actively being studied due to their interesting magnetic properties and possible technological applications for example in high density data storage. Results of density functional theory calculations within the generalized gradient approximation of an Fe nanoisland on a W(110) surface are presented here with particular focus on the effect of hydrogen adsorption on magnetic properties. The adsorption is found to strongly decrease the magnetic moment of the Fe atoms the H atoms are bound to, down to less than a half in some cases as compared with the clean Fe island. This is an important consideration since hydrogen can relatively easily be introduced and removed from the system, thus providing a way of tuning magnetic properties, and it can also be unintentionally present even under ultrahigh vacuum conditions, especially at low temperature.
Julkaisija
American Physical SocietyISSN Hae Julkaisufoorumista
2469-9950Asiasanat
Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/33644212
Metadata
Näytä kaikki kuvailutiedotKokoelmat
Rahoittaja(t)
Suomen AkatemiaRahoitusohjelmat(t)
Tutkijatohtori, SALisätietoja rahoituksesta
M.M. acknowledges funding by the Academy of Finland (Project No. 307853). H.J. acknowledges funding from the Icelandic Research Fund. Computational resources were provided by CSC IT CENTER FOR SCIENCE LTD.Lisenssi
Samankaltainen aineisto
Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.
-
Understanding Structure and Stability of Monoclinic Zirconia Surfaces from First-Principles Calculations
Bazhenov, Andrey; Honkala, Karoliina (Springer New York LLC, 2017)Under the water-rich pre-treatment and/or reaction conditions, structure and chemistry of the monoclinic zirconia surfaces are strongly influenced by oxygen vacancies and incorporated water. Here, we report a ... -
Synthesis of isomorphous cobalt and nickel thiocyanate coordination compounds : effect of metals on compound properties
Hannachi, Anissa; Valkonen, Arto; Gómez García, Carlos J.; Rzaigui, Mohamed; Smirani, Wajda (Elsevier, 2019)The reaction of 2-methylpiperazine with the thiocyanate ligand and two transition metals leads to the production of two new isomorphous [ML2SCN4] where L is the 2-methylpiperazine and [M =Co (1), and Ni (2)], presenting ... -
Coordination Complexes of a Neutral 1,2,4-Benzotriazinyl Radical Ligand: Synthesis, Molecular and Electronic Structures, and Magnetic Properties
Morgan, Ian; Mansikkamäki, Akseli; Zissimou, Georgia A.; Koutentis, Panayoitis A.; Rouzières, Mathieu; Clérac, Rodolphe; Tuononen, Heikki (Wiley - VCH Verlag GmbH & Co. KGaA, 2015)A series of d-block metal complexes of the recently reported coordinating neutral radical ligand 1-phenyl-3-(pyrid-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl (1) was synthesized. The investigated systems contain the ... -
Substituent effects on exchange anisotropy in single- and multiorbital organic radical magnets
Marbey, Jonathan; Mailman, Aaron; Oakley, Richard, T.; Hill, Stephen; Winter, Stephen, M. (American Physical Society (APS), 2024)The contribution of heavy-atom substituents to the overall spin-orbit interaction in two classes of organic radical molecular magnets is discussed. In “single-orbital” radicals, spin-orbit coupling (SOC) effects are well ... -
Single crystal investigations, Hirshfeld surface analysis, DFT studies, molecular docking, physicochemical characterization, antiferromagnetic behavior, and biological activity of Bis(Homopiperazinium)-Nickel Diaquatetrakis(Isothiocyanato)-Nickel
Makhlouf, Jawher; Louis, Hitler; Isang, Bartholomew B.; El Bakri, Youness; Okoro, Bernard; Valkonen, Arto; Abuelizz, Hatem A.; Al-Salahi, Rashad; Smirani Sta, Wajda (Elsevier, 2024)The purpose of the study is to synthesize and analyze the coordination compound [Ni(C5H12N2)2][Ni(NCS)4 2H2O]. The molecular structure of the Ni compound was established from single-crystal X-ray structure determination. ...
Ellei toisin mainittu, julkisesti saatavilla olevia JYX-metatietoja (poislukien tiivistelmät) saa vapaasti uudelleenkäyttää CC0-lisenssillä.