Study on the Preparation and Properties of Metal Functional Materials

A special issue of Metals (ISSN 2075-4701). This special issue belongs to the section "Metallic Functional Materials".

Deadline for manuscript submissions: 30 January 2026 | Viewed by 458

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Guest Editor
School of Materials Science and Engineering, Southwest Jiaotong University, Chengdu, China
Interests: functional materials for environmental remediation; non-noble-metal-based functional materials; multi-field coupling effect of functional materials
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Special Issue Information

Dear Colleagues,

Metallic functional materials refer to metallic materials with special physical, chemical or biological properties that are used for non-structural purposes. These may include nano materials, catalytic materials, superconducting materials, hydrogen storage alloys, shape memory alloys, amorphous alloys, magnetic materials, energy materials, electrode materials, biological materials, medical material purposes, etc. With the rapid development of modern science and technology, the importance of metallic functional materials has become more and more prominent. Metallic functional materials are not only important basic materials for high-tech fields such as information technology, biotechnology, energy technology, and national defense construction, but also the key to transforming and upgrading traditional industry. They are directly related to the sustainable development of resources, the environment and society. Academics on metallic functional material-related cutting-edge research are very active, especially in the field of new energy, environment and health care.

In this Special Issue, we welcome scientific research teams to publish their latest achievements, especially original and novel papers on material synthesis, microstructure, properties and mechanisms, in order to exhibit the cutting-edge progress in the field of metallic functional materials.

Dr. Weiyi Yang
Guest Editor

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Keywords

  • nanomaterial
  • catalytic material
  • superconducting material
  • hydrogen storage alloy
  • shape memory alloy
  • amorphous alloy
  • magnetic material
  • energy material
  • electrical contact material
  • target material

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Published Papers (1 paper)

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Research

14 pages, 2510 KiB  
Article
DFT Study of Hydrostatic Pressure Effects up to 1.0 GPa on the Electronic and Magnetic Properties of Laves Phases ErAl2 and ErNi2
by Tomás López-Solenzal, José Luis Sánchez Llamazares, José Luis Enríquez-Carrejo and César Fidel Sánchez-Valdés
Metals 2025, 15(6), 680; https://doi.org/10.3390/met15060680 - 19 Jun 2025
Viewed by 176
Abstract
This study employs DFT+U calculations to investigate the ferromagnetic properties of ErAl2 and ErNi2 Laves phases under an external hydrostatic pressure P (0 GPa ≤ P ≤ 1.0 GPa). The calculated magnetic moments per formula unit for both crystalline structures align [...] Read more.
This study employs DFT+U calculations to investigate the ferromagnetic properties of ErAl2 and ErNi2 Laves phases under an external hydrostatic pressure P (0 GPa ≤ P ≤ 1.0 GPa). The calculated magnetic moments per formula unit for both crystalline structures align with experimentally reported values: 4.40 μB/f.u. in the hard magnetization <001> axis for ErAl2 and 5.56 μB/f.u. in the easy magnetization <001> axis for ErNi2. The DFT results indicate that the magnetic moment remains unchanged up to 1 GPa of hydrostatic pressure, with no structural instabilities observed, as evidenced by a nearly constant formation energy for ErAl2 and ErNi2 alloys. The simulations confirm that the magnetic behavior of ErAl2 is primarily driven by the electrons localized in the f orbitals. In contrast, for ErNi2, both d and f orbitals significantly contribute to the total magnetic moment. Finally, the electronic specific heat coefficient was calculated and reported as a function of hydrostatic pressure up to P = 1.0 GPa for each Laves phase. Full article
(This article belongs to the Special Issue Study on the Preparation and Properties of Metal Functional Materials)
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