Experimental and theoretical investigations of novel synthesized organo-silane compounds and modified mesoporous silica materials

Ermiş, Emel; Demircioğlu, Yasemin Süzen; Özcan, Asiye Safa

doi:10.1016/j.molstruc.2018.11.047

Cited by 6 publications

(1 citation statement)

References 55 publications

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“…They are considered the cornerstone of future nanoscale electronics [18] and spintronics, and thus have attracted considerable interest in condensed matter physics and materials science. In recent years, an increasing number of graphene-like 2D materials have also been synthesized experimentally [19], such as calcium silicate [20], black phosphorus [21], transition metal disulfide [22] and so on.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe₄ monolayer

Jia,

Gao,

Liu

2023

J. Phys.: Condens. Matter

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Two-dimensional (2D) ferromagnetic (FM) half-metallic materials have attracted intensive attention due to their unique electronic and magnetic properties and potential applications in spintronic devices. In this study, we predicted a stable 2D half-metallic material monolayer CrSiSe4 using first-principles density functional theory. The structure, electronic and magnetic properties were systematically studied. The calculations show that the monolayer CrSiSe4 is a dynamically stable FM half-metallic material. The spin-dependent transport properties and the Curie temperature up to 239 K are demonstrated. The spin band gap of monolayer CrSiSe4 was about 0.83 eV by the the Heyd–Scuseria–Ernzerhof function calculation. The magnetic anisotropy energy of each Cr atom in the monolayer of CrSiSe4 is − 552.3 μ eV. When the applied biaxial tensile strain is greater than 2%, monolayer CrSiSe4 spin-up conduction band and valence band will show a band gap at the Fermi level, and the electronic properties change from a half-metal to a semiconductor. Thus, the monolayer CrSiSe4 can provide an ideal candidate material for exploring 2D magnetic and spintronics experiments.

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Section: Introductionmentioning

confidence: 99%

First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe₄ monolayer

Jia,

Gao,

Liu

2023

J. Phys.: Condens. Matter

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Design of monolithic superhydrophobic concrete with excellent anti-corrosion and self-cleaning properties

Cui,

Xiang,

et al. 2024

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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Design and synthesis of 4-aminoantipyrine appended triazole linked bis-organosilane and their silica nanoparticles for selective recognition of Fe3+ ions

Singh

Suman

Diksha

et al. 2022

Journal of Molecular Structure

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Experimental and theoretical investigations of novel synthesized organo-silane compounds and modified mesoporous silica materials

Cited by 6 publications

References 55 publications

First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe₄ monolayer

First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe₄ monolayer

Design of monolithic superhydrophobic concrete with excellent anti-corrosion and self-cleaning properties

Design and synthesis of 4-aminoantipyrine appended triazole linked bis-organosilane and their silica nanoparticles for selective recognition of Fe3+ ions

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Experimental and theoretical investigations of novel synthesized organo-silane compounds and modified mesoporous silica materials

Cited by 6 publications

References 55 publications

First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe4 monolayer

First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe4 monolayer

Design of monolithic superhydrophobic concrete with excellent anti-corrosion and self-cleaning properties

Design and synthesis of 4-aminoantipyrine appended triazole linked bis-organosilane and their silica nanoparticles for selective recognition of Fe3+ ions

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First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe₄ monolayer

First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe₄ monolayer