Switchable large-gap quantum spin Hall state in two-dimensional MSi$_2$Z$_4$ materials class

Islam, Rajibul; Verma, R. P.; Ghosh, B.; Muhammad, Zahir; Bansil, Arun; Autieri, Carmine; Singh, Bahadur

doi:10.48550/arxiv.2207.08407

Cited by 2 publications

(2 citation statements)

References 49 publications

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“…[174] Recent firstprinciples calculations reveal 2D MSi 2 Z 4 with 1T' structure as largebandgap and tunable quantum spin Hall insulator, which possesses a protected spinpolarized edge state and a large spinHall conductivity. [176] 3. Prospective Application…”

Section: Magnetic Propertiesmentioning

confidence: 99%

Emerging Versatile Two‐Dimensional MoSi₂N₄ Family

Yin

Gong

Guo

2023

Adv Funct Materials

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The discovery of 2D layered MoSi 2 N 4 and WSi 2 N 4 without knowing their 3D parents by chemical vapor deposition in 2020 has stimulated extensive studies of 2D MA 2 Z 4 system due to its structural complexity and diversity as well as versatile and intriguing properties. Here, a comprehensive overview on the state-of-the-art progress of this 2D MA 2 Z 4 family is presented. Starting by describing the unique sandwich structural characteristics of the emerging monolayer MA 2 Z 4 , their versatile properties including mechanics, piezoelectricity, thermal transport, electronics, optics/optoelectronics, and magnetism is summarized and anatomized. The property tunability via strain engineering, surface functionalization and layered strategy is also elaborated. Theoretical and experimental attempts or advances in applying 2D MA 2 Z 4 to transistors, photocatalysts, batteries and gas sensors are then reviewed to show its prospective applications over a vast territory. New opportunities are further discussed and prospects are suggested for this emerging 2D family. The overview is anticipated to guide the further understanding and exploration on 2D MA 2 Z 4 .

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Section: Magnetic Propertiesmentioning

confidence: 99%

Emerging Versatile Two‐Dimensional MoSi₂N₄ Family

Yin

Gong

Guo

2023

Adv Funct Materials

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“…For the calculation of the Born effective charges

and the piezoelectric tensor in the bulk, we have used the modern theory of polarization [ 39 , 40 ] and the self-consistent response to finite electric fields [ 41 , 42 ] for bulk systems as implemented in VASP. For the thin film, we have constructed four-unit cells along the (001) direction, and we have added the electric field in the direction (001) perpendicular to thin film surfaces performing the same strategy used for several 2D materials in the electric field [ 43 , 44 ]. In the case of the slab, we have considered the dipole corrections to the potential as implemented in VASP in order to avoid interactions between the periodically repeated images [ 45 ].…”

Section: Computational Detailsmentioning

confidence: 99%

Mott Insulator Ca2RuO4 under External Electric Field

Cuono¹,

Autieri²

2022

Materials

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We have investigated the structural, electronic and magnetic properties of the Mott insulator Ca2RuO4 under the application of a static external electric field in two regimes: bulk systems at small fields and thin films at large electric fields. Ca2RuO4 presents S- and L-Pbca phases with short and long c lattice constants and with large and small band gaps, respectively. Using density functional perturbation theory, we have calculated the Born effective charges as response functions. Once we break the inversion symmetry by off-centering the Ru atoms, we calculate the piezoelectric properties of the system that suggest an elongation of the system under an electric field. Finally, we investigated a four-unit cell slab in larger electric fields, and we found insulator–metal transitions induced by the electric field. By looking at the local density of states, we have found that the gap gets closed on surface layers while the rest of the sample is insulating. Correlated to the electric-field-driven gap closure, there is an increase in the lattice constant c. Regarding the magnetic properties, we have identified two phase transitions in the magnetic moments with one surface that gets completely demagnetized at the largest field investigated. In all cases, the static electric field increases the lattice constant c and reduces the band gap of Ca2RuO4, playing a role in the competition between the L-phase and the S-phase.

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Switchable large-gap quantum spin Hall state in two-dimensional MSi$_2$Z$_4$ materials class

Cited by 2 publications

References 49 publications

Emerging Versatile Two‐Dimensional MoSi₂N₄ Family

Emerging Versatile Two‐Dimensional MoSi₂N₄ Family

Mott Insulator Ca2RuO4 under External Electric Field

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Switchable large-gap quantum spin Hall state in two-dimensional MSi$_2$Z$_4$ materials class

Cited by 2 publications

References 49 publications

Emerging Versatile Two‐Dimensional MoSi2N4 Family

Emerging Versatile Two‐Dimensional MoSi2N4 Family

Mott Insulator Ca2RuO4 under External Electric Field

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Product

Resources

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Emerging Versatile Two‐Dimensional MoSi₂N₄ Family

Emerging Versatile Two‐Dimensional MoSi₂N₄ Family