Effects of spin–phonon coupling on two-dimensional ferromagnetic semiconductors: a case study of iron and ruthenium trihalides

Liu, Yinqiao; Liu, Qinxi; Liu, Ying; Zhang, Xiaoliang; Zhao, Jijun

doi:10.1039/d0nr08626f

Cited by 15 publications

(14 citation statements)

References 40 publications

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“…This means that the FM to PM phase transition will be accompanied by a striking drop in κ l . Our results agree with the recent findings for CrI 3 , where larger κ l in the FM phase was predicted [19,56]. To investigate the effects of spin ordering further, we also calculate κ l of both compounds in the PM * phase (by using the FM phase structure and neglecting the spin ordering).…”

Section: Effect Of Spin Order On Lattice Thermal Conductivitysupporting

confidence: 89%

Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers

Pandey¹,

Peeters²,

Milovsevic³

2021

Preprint

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Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity (κ l ) in magnetic materials, as we demonstrate here for CrX3 (X = Br and I) monolayers. We show that these compounds exhibit large spin-phonon coupling (SPC), dominated by out-ofplane vibrations of Cr atoms, resulting in significantly different phonon dispersions in ferromagnetic (FM) and paramagnetic (PM) phases. Lattice thermal conductivity calculations provide additional evidence for strong SPC, where particularly large κ l is found for the FM phase. Most strikingly, PM and FM phases exhibit radically different behavior with tensile strain, where κ l increases with strain for the PM phase, and strongly decreases for the FM phase -as we explain through analysis of phonon lifetimes and scattering rates. Taken all together, we uncover the very high significance of SPC on the phonon transport in CrX3 monolayers, a result extendable to other 2D magnetic materials, that will be useful in further design of thermal spin devices.

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Section: Effect Of Spin Order On Lattice Thermal Conductivitysupporting

confidence: 89%

Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers

Pandey¹,

Peeters²,

Milovsevic³

2021

Preprint

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“…15 The electronic band structure of 2D semiconductors can be further tuned, 16,17 which opens prospects for the design of various innovative devices for applications in flexible electronics, spintronics, photocatalysis, and artificial synapses. [18][19][20][21][22] Inspired by the successful demonstration of these 2D materials, extensive effort has been conducted to expand the family of 2D materials. 23,24 Since the synthesis of new 2D materials is timeconsuming and costly, the theoretical calculation is of great utility.…”

Section: Introductionmentioning

confidence: 99%

Prediction of 2D IV–VI semiconductors: auxetic materials with direct bandgap and strong optical absorption

Ren

Liu

et al. 2022

Nanoscale

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“…A strong in-plane SPC of the FePS 3 monolayer was approved by detecting the spin-order induced Raman peak . Liu et al found that Ru trihalides exhibited weaker SPC effects than that of Fe trihalides by evaluating their structure parameters, phonon dispersions, and lattice thermal conductivities . Additionally, a transition from FM to AFM states occurred under biaxial tensile strain for the CrI 3 monolayer, which provided an opportunity to manipulate its spin exchange coupling.…”

Section: Introductionmentioning

confidence: 99%

“…46 Liu et al found that Ru trihalides exhibited weaker SPC effects than that of Fe trihalides by evaluating their structure parameters, phonon dispersions, and lattice thermal conductivities. 47 Additionally, a transition from FM to AFM states occurred under biaxial tensile strain for the CrI 3 monolayer, 48 which provided an opportunity to manipulate its spin exchange coupling. It can be seen that the spin−lattice interaction is obvious in most magnetic semiconductors.…”

Section: ■ Introductionmentioning

confidence: 99%

Strong Spin-Phonon Coupling in Two-Dimensional Magnetic Semiconductor CrSBr

Wang²,

et al. 2022

J. Phys. Chem. C

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Recently, spin-phonon coupling (SPC) has gained considerable attention especially in two-dimensional (2D) materials. Herein, density-functional theory is used to investigate the SPC effect in CrSBr, a recently fabricated 2D magnetic semiconductor. It is found that the phonon vibrations are strongly dependent on the spin ordering. The breaking of magnetic symmetry changes phonon spectrum dependency obviously. In particular, the SPC constant is found to be 20.2 cm −1 , which is one order of magnitude larger than that of most other 2D materials. The group velocity and Gruneisen constant in the ferromagnetic (FM) state are increased by ∼23 and ∼16% than that in the antiferromagnetic state. Furthermore, the thermal conductivity is enhanced by ∼43% for FM spin ordering because of stronger lattice anharmonicity. The Curie temperature of the system can be tuned ∼30% by lattice deformation because of the strong SPC. Our work provides fundamental insights into the SPC effect on the CrSBr monolayer and sheds light on its potential for novel spintronic application.

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Effects of spin–phonon coupling on two-dimensional ferromagnetic semiconductors: a case study of iron and ruthenium trihalides

Abstract: The contributions of spin-phonon coupling (SPC) to spin and thermal transport properties are important in the emerging two-dimensional (2D) magnetic semiconductors and are relevant for the data security and working...

Cited by 15 publications

References 40 publications

Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers

Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers

Prediction of 2D IV–VI semiconductors: auxetic materials with direct bandgap and strong optical absorption

Strong Spin-Phonon Coupling in Two-Dimensional Magnetic Semiconductor CrSBr

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