A tetragonal phase Mn<sub>2</sub>B<sub>2</sub> sheet: a stable room temperature ferromagnet with sizable magnetic anisotropy

Abdullahi, Yusuf Zuntu; Vatansever, Zeynep Demir; Aktürk, Ethem; Akıncı, Ümit; Aktürk, Olcay Üzengi

doi:10.1039/d0cp00503g

Cited by 34 publications

(28 citation statements)

References 41 publications

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“…Typical MBene examples are TM 2 B 2 (TM ¼ Mn, Mo, Fe, Cr) sheets. [2][3][4][5] Due to their appropriate electronic properties, they were found to be theoretically promising for spintronics, battery, and superconducting applications. 2,3,5 The Cr 2 B 2 sheet was successfully synthesized 6,7 and rst-principles calculations based on density functional theory (DFT) have conrmed the stability of the Cr 2 B 2 sheet.…”

Section: Introductionmentioning

confidence: 99%

“…[2][3][4][5] Due to their appropriate electronic properties, they were found to be theoretically promising for spintronics, battery, and superconducting applications. 2,3,5 The Cr 2 B 2 sheet was successfully synthesized 6,7 and rst-principles calculations based on density functional theory (DFT) have conrmed the stability of the Cr 2 B 2 sheet. 5 Motivated by the potential of MBene, 2,8 it will be interesting to explore other new 2D materials with a similar MBene building block.…”

Section: Introductionmentioning

confidence: 99%

“…2,3,5 The Cr 2 B 2 sheet was successfully synthesized 6,7 and rst-principles calculations based on density functional theory (DFT) have conrmed the stability of the Cr 2 B 2 sheet. 5 Motivated by the potential of MBene, 2,8 it will be interesting to explore other new 2D materials with a similar MBene building block. As MBene has a dominant metal property, some questions arise: is it possible to create a new stable structure if the B atom of the MBene is replaced by another element?…”

Section: Introductionmentioning

confidence: 99%

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Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V₂P₂ sheet

2021

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V₂P₂ sheet

2021

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“…[13][14][15] As for magnetism, the MnB sheet is theoretically found to exhibit FM at room temperature with a considerable MAE. [16] In addition to the MBene sheet of a particular single transition metal (TM) atom, combinations of two different TM atoms in the unit cell are important in the field of magnetism. This is a promising strategy to promote more charge carriers for higher T C , and or strong spin-orbit coupling for the sizable MAE.…”

Section: Introductionmentioning

confidence: 99%

“…[ 13–15 ] As for magnetism, the MnB sheet is theoretically found to exhibit FM at room temperature with a considerable MAE. [ 16 ]…”

Section: Introductionmentioning

confidence: 99%

Doping‐Driven Antiferromagnetic to Ferromagnetic Phase Transition in Tetragonal Cr2B2 Monolayer

Abdullahi

Vatansever

Aktürk

et al. 2020

Physica Status Solidi (b)

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Novel two‐dimensional (2D) tetragonal (tetra‐) CrXB 2 (X = Mn, V) sheets are studied using density functional theory (DFT) with Monte Carlo (MC) simulations. Both, tetra‐ CrMnB 2 and tetra‐ CrVB 2 sheets exhibit metallic ferromagnetism with great stability at elevated temperatures. The magnetic moment for tetra‐ CrMnB 2 (1.63 μ B per unit cell) and tetra‐ CrVB 2 ( 0.53 μ B per unit cell) sheets are found to be far less than that of pure tetra‐ Cr 2 normalB 2 ( 6.02 μ B per unit cell). Interestingly, an antiferromagnetic–ferromagnetic (AFM–FM) transition occurs as a result of alloying the pure Cr 2 normalB 2 with Mn and V atoms. The tetra‐ CrMnB 2 exhibits a sizable magnetic anisotropy energy (MAE) of 136.25 μeV per Mn – Cr atom, larger than that of tetra‐ CrVB 2 (17.5 μeV per V – Cr atom), and both the sheets prefer out‐of‐plane magnetization. The MAE can be tuned via the application of an electric field for both, tetra‐ CrMnB 2 and tetra‐ CrVB 2 cases. MC simulations based on 2D Heisenberg model predict a Curie temperature ( T normalC ) of 140 and 20 K for tetra‐ CrMnB 2 and tetra‐ CrVB 2 sheets, respectively. These novel 2D sheets hold promise for controllable spintronic devices application.

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Colossal 3D Electrical Anisotropy of MoAlB Single Crystal

Huang

Lin

et al. 2021

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Thus, the in-plane anisotropic layered crystal structure combined with chemical bond anisotropy could cause the 3D anisotropic phonon vibration, electronic structure, and even functional properties. These in-plane anisotropic layered materials can provide another new degree of freedom to tune unexplored properties and design new devices, which cannot be easily realized in the in-plane isotropic materials. [2] MAB phases (M = transition metal elements, A = III A or IV A group elements, B = boron) are a kind of in-plane anisotropic layered ternary transition metal borides with several different structure types. [3][4][5] Taking widely studied Al-containing MAB phases for example, they possess orthorhombic crystal structures with varying space groups from Immm (for M 4 AlB 4 ), Cmmm (for M 2 AlB 2 , M 4 AlB 6 , and M 3 Al 2 B 2 ), Pmmm (for M 3 AlB 4 ), to Cmcm (for MAlB). [5][6][7][8] As exhibited in Figure 1, the Al atoms are arranged from M 4 AlB 4 and M n+1 AlB 2n (n = 1-3) with a single layer of Al, MAlB with two Al layers (namely Al-Al layer), to M 3 Al 2 B 2 with three layers of AlMAl. [5,6] The M atoms are arranged in the form of triangular prisms with double layers for M 4 AlB 4 and a single layer for other Al-containing MAB phases, while the B atoms form zigzag chains in the direction perpendicular to the prism axes.

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A tetragonal phase Mn₂B₂ sheet: a stable room temperature ferromagnet with sizable magnetic anisotropy

Abstract: Exploring the magnetic properties of two-dimensional (2D) metal boride (MBene) sheets for spin-based electronics is gaining importance for developing electronic devices.

Cited by 34 publications

References 41 publications

Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V₂P₂ sheet

Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V₂P₂ sheet

Doping‐Driven Antiferromagnetic to Ferromagnetic Phase Transition in Tetragonal Cr2B2 Monolayer

Colossal 3D Electrical Anisotropy of MoAlB Single Crystal

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A tetragonal phase Mn2B2 sheet: a stable room temperature ferromagnet with sizable magnetic anisotropy

Abstract: Exploring the magnetic properties of two-dimensional (2D) metal boride (MBene) sheets for spin-based electronics is gaining importance for developing electronic devices.

Cited by 34 publications

References 41 publications

Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V2P2 sheet

Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V2P2 sheet

Doping‐Driven Antiferromagnetic to Ferromagnetic Phase Transition in Tetragonal Cr2B2 Monolayer

Colossal 3D Electrical Anisotropy of MoAlB Single Crystal

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Product

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A tetragonal phase Mn₂B₂ sheet: a stable room temperature ferromagnet with sizable magnetic anisotropy

Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V₂P₂ sheet

Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V₂P₂ sheet