Piezoelectric ferromagnetism in Janus monolayer YBrI: a first-principles prediction

Guo, San‐Dong; Wang, Meng-Xia; Tao, Yu-Ling; Liu, Bang-Gui

doi:10.1039/d2cp05046c

Cited by 5 publications

(5 citation statements)

References 58 publications

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“…In comparison with its parent material, the Janus structure has unique novel properties such as larger piezoelectric effect and it is more controllable, due to the breaking of the mirror symmetry in the out-of-plane direction. The main Janus ferrovalley materials that have been investigated theoretically are: VXY [110][111][112][113][114][115][116], FeXY [117], RuClX [118,119], GdXY [120,121], TiXY [122,123], ScBrI [124], LaBrI [125], YBrI [126], TaNF [127], OsClBr [128], Fe 2 SSe [129], VSiGeN 4 [130][131][132], VCSiN 4 [133], MSiGeZ 4 [134], Mn 2 P 2 X 3 Y 3 [135] and so on (M is transition metal element Cr and W; X, Y are non-metallic elements and X ̸ = Y).…”

Section: Janus Structure Ferrovalley Materialsmentioning

confidence: 99%

Valleytronics in two-dimensional magnetic materials

Luo,

Huang,

Qiao

et al. 2024

J. Phys. Mater.

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Valleytronics uses valleys to encode information. It combines other degrees of freedom to produce a more comprehensive, stable, and efficient information processing system. However, in nonmagnetic valleytronic materials, the valley polarization is transient and the depolarization occurs once the external excitation is withdrawn. Introduction of magnetic field is an effective approach to realizing the spontaneous valley polarization by breaking the time-reversal symmetry. In hexagonal magnetic valleytronic materials, the inequivalent valleys at the K and -K Dirac cones have asymmetric energy gaps and Berry curvatures. The time-reversal symmetry in nonmagnetic materials can be broken by applying an external magnetic field, adding a magnetic substrate or doping magnetic atoms. Recent theoretical studies have demonstrated that valleytronic materials with intrinsic ferromagnetism, now termed as ferrovalley materials, exhibit spontaneous valley polarization without the need for external fields to maintain the polarization. The coupling of the valley and spin degrees of freedom enables stable and unequal distribution of electrons in the two valleys and thus facilitating nonvolatile information storage. Hence, ferrovalley materials are promising materials for valleytronic devices. In this review, we first briefly overview valleytronics and its related properties, the ways to realize valley polarization in nonmagnetic valleytronic materials. Then we focus on the recent developments in two-dimensional ferrovalley materials, which can be classified according to their molecular formula and crystal structure: MX2; M(XY)2, M(XY2) and M(XYZ)2; M2X3, M3X8 and MNX6; MNX2Y2, M2X2Y6 and MNX2Y6; and the Janus structure ferrovalley materials. In the inequivalent valleys, the Berry curvatures have opposite signs with unequal absolute values, leading to anomalous valley Hall effect. When the valley polarization is large, the ferrovalleys can be selectively excited even with unpolarized light. Intrinsic valley polarization in two-dimensional ferrovalley materials is of great importance. It opens a new avenue for information-related applications and hence is under rapid development.

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Section: Janus Structure Ferrovalley Materialsmentioning

confidence: 99%

Valleytronics in two-dimensional magnetic materials

Luo,

Huang,

Qiao

et al. 2024

J. Phys. Mater.

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“…[11][12][13] Recently, the piezoelectric properties of two-dimensional ferroelectric semiconductors, Janus materials, and three-dimensional hexagonal crystal systems were predicted successfully using firstprinciples calculations. [14][15][16][17] A variety of uses of cation-doped w-AlN thin films have been discovered with the advent of the post-Moore era. Moreira et al experimentally prepared AlMN (M = Sc, Y, and Yb) thin films with measured electromechanical coupling increases of up to 100% in the concentration range and highlighted their potential for use in wideband RF devices.…”

Section: Introductionmentioning

confidence: 99%

Theoretical evidence of the piezoelectric property enhancement for ScY- or CaTi-codoped wurtzite AlN

Guo,

Ma,

Xie

et al. 2024

J. Mater. Chem. C

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“…The piezoelectric properties of 2D monolayers are specified by in-plane ( d 11 ) and out-of-plane ( d 31 ) piezoelectric coefficients. Janus TiXY (XY = SCl and SeBr), group IV(A) Janus dichalcogenides, YBrI, MoAZ 3 H (A = Si and Ge: Z = N, P, and As), BiXY (X = S, Se, and Te; Y = F, Cl, Br, and I), PtXO (X = S and Se), MoSSiX 2 (X = N, P, and As), BMX 2 (M = Ga and In; X = S and Se), M 2 AB (M = Si, Ge, and Sn; A/B = N, P, and As), and γ-Ge 2 XX’ (X, X’ = S, Se, and Te) show a very high out-of-plane piezoelectric behavior, which is beneficial for piezoelectric devices. Furthermore, the corrected solar-to-hydrogen conversion efficiencies of Janus monolayer-based photocatalysts such as WSSe, MoSSe, PtSSe, WSeTe, AsTeX (X= Cl and Br), AsXY (X= Se and Te; Y = Br and I), and AlXY (X= S and Se; Y= Cl, Br, and I) exceed the 10% criteria for commercial use of photocatalysts.…”

Section: Introductionmentioning

confidence: 99%

Piezoelectric, Thermoelectric, and Photocatalytic Water Splitting Properties of Janus Arsenic Chalcohalide Monolayers

Chauhan,

Kumar

2024

ACS Omega

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In this study, we systematically investigate the piezoelectric, thermoelectric, and photocatalytic properties of novel two-dimensional Janus arsenic chalcohalide monolayers, AsXX' (X = S and Se and X' = Cl, Br, and I) using density functional theory. The positive phonon spectra and ab initio molecular dynamics simulation plots indicate these monolayers to be dynamically and thermally stable. The mechanical stability of these monolayers is confirmed by a nonzero elastic constant (C ij ), Young's modulus (Y 2D ), and Poisson ratio (ν). These monolayers exhibit strong out-of-plane piezoelectric coefficients, making them candidate materials for piezoelectric devices. Our calculated results indicate that these monolayers have a low lattice thermal conductivity (κ l ) and high thermoelectric figure of merit (zT) up to 1.51 at 800 K. These monolayers have an indirect bandgap, high carrier mobility, and strong visible light absorption spectra. Furthermore, the AsSCl, AsSBr, and AsSeI monolayers exhibit appropriate band alignment for water splitting. The calculated value of the corrected solar-to-hydrogen conversion efficiency can reach up to 19%. The nonadiabatic molecular dynamics simulations reveal the prolonged electron−hole recombination rates of 1.52 0.98, and 0.67 ns for AsSCl, AsSBr, and AsSeI monolayers, respectively. Our findings demonstrate these monolayers to be potential candidates in energyharvesting fields.

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Piezoelectric ferromagnetism in Janus monolayer YBrI: a first-principles prediction

Abstract: Coexistence of intrinsic ferromagnetism and piezoelectricity, namely piezoelectric ferromagnetism (PFM), is crucial to advance multifunctional spintronic technologies. In this work, we demonstrate that Janus monolayer YBrI is a PFM, which...

Cited by 5 publications

References 58 publications

Valleytronics in two-dimensional magnetic materials

Valleytronics in two-dimensional magnetic materials

Theoretical evidence of the piezoelectric property enhancement for ScY- or CaTi-codoped wurtzite AlN

Piezoelectric, Thermoelectric, and Photocatalytic Water Splitting Properties of Janus Arsenic Chalcohalide Monolayers

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