Spin–orbit splitting and piezoelectric properties of Janus Ge<sub>2</sub>XY (X ≠ Y = P, As, Sb and Bi)

Liu, Huiying; Wang, Yueyi; Chen, Z.Y.; Hou, Tingping; Wu, Kaiming; Lin, Heng-Fu

doi:10.1039/d2cp05805g

Cited by 9 publications

(3 citation statements)

References 78 publications

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“…Recent studies have shown that the strong SOC and mirror asymmetry of 2D Janus materials give rise to the RSS phenomenon, making them promising candidates for next-generation spintronic devices. For example, the Janus Ge 2 XY (X ≠ Y = P, As, Sb, and Bi) monolayers exhibit the out-of-plane piezoelectricity and giant Rashba spin-band splitting [ 35 ]. The Janus 2D materials Bi 2 X 3 (X = S, Se) monolayers were reported to exhibit coexistence of anisotropic colossal out-of-plane piezoelectricity, giant RSS, and ultrahigh carrier mobilities [ 36 ].…”

Section: Introductionmentioning

confidence: 99%

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation

Zhou

2023

Molecules

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Two-dimensional Janus materials have unique structural characteristics due to their lack of out-of-plane mirror symmetry, resulting in many excellent physical and chemical properties. Using first-principle calculations, we performed a detailed investigation of the possible stable structures and properties of two-dimensional Janus NbSH. We found that both Janus 1T and 2H structures are semiconductors, unlike their metallic counterparts MoSH. Furthermore, we predicted a new stable NbSH monolayer using a particle swarm optimization method combined with first-principle calculations. Interestingly, the out-of-plane mirror symmetry is preserved in this newly found 2D structure. Furthermore, the newly found NbSH is metallic and exhibits intrinsic superconducting behavior. The superconducting critical temperature is about 6.1 K under normal conditions, which is found to be very sensitive to stress. Even under a small compressive strain of 1.08%, the superconducting critical temperature increases to 9.3 K. In addition, the superconductivity was found to mainly originate from Nb atomic vibrations. Our results show the diversity of structures and properties of the two-dimensional Janus transition metal sulfhydrate materials and provide some guidelines for further investigations.

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Section: Introductionmentioning

confidence: 99%

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation

Zhou

2023

Molecules

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“…[42] He and Liu et al concluded that Janus X 2 PAs possesses superior photocatalytic performance with high carrier mobility. [43,44] Liu and Touski et al found an interesting Rashba effect and Lifshitz transition in Janus PA 2 As (A = Si, Ge, Sn, and Pb), XSn 2 Y , and Si 2 XY (X,Y = P, As, Sb, and Bi; X = Y ). [45][46][47] However, up to now, it is still unclear how these specific Janus structures will affect their phonon transport behavior.…”

Section: Introductionmentioning

confidence: 99%

Phonon transport properties of Janus Pb₂ XAs (X = P, Sb, and Bi) monolayers: A DFT study

Geng 耿,

Zhang 张,

Tang 汤

et al. 2024

Chinese Phys. B

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Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coating materials. In this paper, we present a first-principles calculation of the phonon transport properties of Janus Pb2PAs and Pb2SbAs monolayers. Both materials possess low lattice thermal conductivity, at least two orders of magnitude lower than graphene and h-BN. The room temperature thermal conductivity of Pb2SbAs (0.91 W/mK) is only a quarter of that of Pb2PAs (3.88 W/mK). We analyze in depth the bonding, lattice dynamics, and phonon mode level information of these materials. Ultimately, it is determined that the synergistic effect of low group velocity due to weak bonding and strong phonon anharmonicity is the fundamental cause of the intrinsic low thermal conductivity in these Janus structures. Relative regular residual analysis further indicates that the four-phonon processes are limited in Pb2PAs and Pb2SbAs, and the three-phonon scattering is sufficient to describe their anharmonicity. In this study, the thermal transport properties of Janus Pb2PAs and Pb2SbAs monolayers are illuminated based on fundamental physical mechanisms, and the low lattice thermal conductivity endows them with the potential applications in the field of thermal barriers and thermoelectrics.

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“…The emerging 2D Janus materials with broken pristine symmetry compared with their pure counterparts have gained extensive attention because they might notably exhibit novel properties, such as electronic, piezoelectric and spintronic properties. 19–26 After the synthesis of Janus MoSSe and WSSe monolayers, 27,28 some Janus monolayers were observed. According to experimentally discovered VSe 2 13 and CrTe 2 , 29–31 the predicted Janus VSSe exhibits RT ferromagnetism with piezoelectricity, ferroelasticity and large valley polarization.…”

Section: Introductionmentioning

confidence: 99%

High spin polarization, large perpendicular magnetic anisotropy and room-temperature ferromagnetism by biaxial strain and carrier doping in Janus MnSeTe and MnSTe

Zhang,

Zhao,

Liu

et al. 2023

Nanoscale

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Spin–orbit splitting and piezoelectric properties of Janus Ge₂XY (X ≠ Y = P, As, Sb and Bi)

Abstract: The coexistence of spin-orbit coupling and piezoelectricity in a single material may have potential application in multifunctional devices, including spintronics, nanorobotics and piezotronics. Spin-orbit coupling provides a new mean to...

Cited by 9 publications

References 78 publications

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation

Phonon transport properties of Janus Pb₂ XAs (X = P, Sb, and Bi) monolayers: A DFT study

High spin polarization, large perpendicular magnetic anisotropy and room-temperature ferromagnetism by biaxial strain and carrier doping in Janus MnSeTe and MnSTe

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Spin–orbit splitting and piezoelectric properties of Janus Ge2XY (X ≠ Y = P, As, Sb and Bi)

Abstract: The coexistence of spin-orbit coupling and piezoelectricity in a single material may have potential application in multifunctional devices, including spintronics, nanorobotics and piezotronics. Spin-orbit coupling provides a new mean to...

Cited by 9 publications

References 78 publications

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation

Structure, Stability, and Superconductivity of Two-Dimensional Janus NbSH Monolayers: A First-Principle Investigation

Phonon transport properties of Janus Pb2 XAs (X = P, Sb, and Bi) monolayers: A DFT study

High spin polarization, large perpendicular magnetic anisotropy and room-temperature ferromagnetism by biaxial strain and carrier doping in Janus MnSeTe and MnSTe

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Spin–orbit splitting and piezoelectric properties of Janus Ge₂XY (X ≠ Y = P, As, Sb and Bi)

Phonon transport properties of Janus Pb₂ XAs (X = P, Sb, and Bi) monolayers: A DFT study