IDEAS home Printed from https://ideas.repec.org/a/spr/eurphb/v98y2025i1d10.1140_epjb_s10051-024-00856-4.html
   My bibliography  Save this article

Investigations on structural, electronic, magnetic, and optical response of HfXO2 (X = Al/Ga/In) novel materials for optoelectronic applications

Author

Listed:
  • M. Junaid Iqbal Khan

    (Bahauddin Zakariya University)

  • Asif Rasheed

    (Bahauddin Zakariya University)

  • Asifa Iqbal

    (Bahauddin Zakariya University)

  • Javed Ahmad

    (Bahauddin Zakariya University)

  • Zarfishan Kanwal

    (Bahauddin Zakariya University)

  • Imran Taj

    (Bahauddin Zakariya University)

  • Nauman Usmani

    (Bahauddin Zakariya University)

  • Masood Yousaf

    (University of Education)

  • Hamid Ullah

    (Riphah International University)

Abstract

Current research enumerates a density functional theory (DFT) study of Al/Ga/In-doped HfO2 using the Wien2k code. Spin-polarized calculations illustrate the non-magnetic behavior of HfO2, whereas evidence of magnetism is found in Al-, Ga-, and In-doped HfO2. Al@HfO2 contains a higher magnetic moment of 3.13 $${\mu }_{\text{B}}$$ μ B , while the least value (2.58 $${\mu }_{\text{B}}$$ μ B ) is noticed for In@HfO2 material. The prominent role of Al 3p-, Ga 3d-, and In 4d-states is observed around the Fermi level and helps in improving the electronic properties of proposed materials. Band gap of selected materials is reduced and shows material’s ability for good conduction. Absorption spectra of Al@HfO2 and Ga@HfO2 materials exhibit blueshift, but In@HfO2 shows redshift when compared with pure HfO2. These materials may have applications in future solar, optoelectronics, energy harvesting, and spintronic devices due to enhanced absorption and conductivity along with decreased reflectivity in the UV region. Graphical abstract

Suggested Citation

  • M. Junaid Iqbal Khan & Asif Rasheed & Asifa Iqbal & Javed Ahmad & Zarfishan Kanwal & Imran Taj & Nauman Usmani & Masood Yousaf & Hamid Ullah, 2025. "Investigations on structural, electronic, magnetic, and optical response of HfXO2 (X = Al/Ga/In) novel materials for optoelectronic applications," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 98(1), pages 1-11, January.
    • Handle: RePEc:spr:eurphb:v:98:y:2025:i:1:d:10.1140_epjb_s10051-024-00856-4
    DOI: 10.1140/epjb/s10051-024-00856-4
    as

    Download full text from publisher

    File URL: http://link.springer.com/10.1140/epjb/s10051-024-00856-4
    File Function: Abstract
    Download Restriction: Access to the full text of the articles in this series is restricted.
    File URL: https://libkey.io/10.1140/epjb/s10051-024-00856-4?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:spr:eurphb:v:98:y:2025:i:1:d:10.1140_epjb_s10051-024-00856-4. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.springer.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.