Influence of Cu doping on magnetic properties of HfSe2 grown by chemical vapor transport technique

IF 4.6 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B Pub Date : 2025-10-03 DOI:10.1016/j.mseb.2025.118837

Muhammad Habib , Sajid Farooq , Ishrat Sultana , Azizur Rehman , Saleh S. Alarfaji , Bin Hong , Zahir Muhammad

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引用次数: 0

Abstract

In this work, highly crystalline multilayered hafnium diselenide (HfSe₂) was grown via chemical vapor transport (CVT) method and investigated for magnetic properties by doping with non-magnetic Cu element. The surface morphology and structural properties of the as-grown materials were ascertained using high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) techniques. The pristine HfSe₂ exhibited diamagnetic behavior, while Cu doping induced a transition to ferromagnetism with clear saturation of the magnetization curves below room temperature, due to vacancy generation and/or different bonding formation. The magnetic properties of Cu-doped HfSe₂ (Cu-HfSe₂) were experimentally confirmed and further verified through performing density functional theory (DFT) calculations, which revealed that the s- and p-bands of Cu clearly show spin-polarization below and above the Fermi level in the emergence of magnetism in Cu-HfSe₂ material.

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Cu掺杂对化学气相输运法生长的HfSe2磁性能的影响

采用化学气相输运（CVT）法制备了高结晶多层二硒化铪（HfSe2），并通过掺杂非磁性Cu元素对其磁性进行了研究。采用高分辨率透射电镜（HRTEM）、x射线衍射（XRD）、x射线光电子能谱（XPS）和x射线吸收精细结构（XAFS）技术对生长材料的表面形貌和结构特性进行了表征。原始的HfSe2表现出抗磁性行为，而Cu掺杂导致其向铁磁性转变，在室温下磁化曲线明显饱和，这是由于空位的产生和/或不同键的形成。实验证实了Cu掺杂的HfSe2 （Cu-HfSe2）的磁性能，并通过密度泛函理论（DFT）计算进一步验证了其磁性能，结果表明Cu的s-带和p-带在Cu-HfSe2材料中磁性出现时明显表现出费米能级以下和费米能级以上的自旋极化。

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来源期刊

Materials Science and Engineering: B 工程技术-材料科学：综合

CiteScore

5.60

自引率

2.80%

发文量

481

审稿时长

3.5 months

期刊介绍： The journal provides an international medium for the publication of theoretical and experimental studies and reviews related to the electronic, electrochemical, ionic, magnetic, optical, and biosensing properties of solid state materials in bulk, thin film and particulate forms. Papers dealing with synthesis, processing, characterization, structure, physical properties and computational aspects of nano-crystalline, crystalline, amorphous and glassy forms of ceramics, semiconductors, layered insertion compounds, low-dimensional compounds and systems, fast-ion conductors, polymers and dielectrics are viewed as suitable for publication. Articles focused on nano-structured aspects of these advanced solid-state materials will also be considered suitable.