Electron transport, ferroelectric, piezoelectric and optical properties of two-dimensional In<sub>2</sub>Te<sub>3</sub>: a first-principles study

Pu, Yuanmao; Li, Yumin; Qiu, Zhibin; Zhou, Lang; Fang, Chuanli; Lou, Yaya; Lv, Bing; Wei, Jun; Wang, Wenzhong; Dai, Qingping

doi:10.1039/d3cp01523h

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp01523h

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Electron transport, ferroelectric, piezoelectric and optical properties of two-dimensional In₂Te₃: a first-principles study

Yuanmao Pu,

Yumin Li,

Zhibin Qiu

et al.

Abstract: Two-dimensional (2D) materials have garnered significant interest in the fields of optoelectronics and electronics due to their unique and diverse properties. In this work, the electron transport, ferroelectric, piezoelectric, and...

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2024

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Thermoelectric properties of ferroelectric α-In2X3 (X = S, Se, Te) monolayers: A first-principles study

Yang,

Chen

2024

Materials Today Communications

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Thermoelectric properties of ferroelectric α-In2X3 (X = S, Se, Te) monolayers: A first-principles study

Yang,

Chen

2024

Materials Today Communications

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The evolution of 2D vdW ferroelectric materials: Theoretical prediction, experiment confirmation, applications

Wang,

Tang,

Han

et al. 2024

Applied Physics Reviews

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Since J. Valasek first discovered ferroelectric materials in 1920, researchers have been exploring continuously in various fields through theory and experiments. With the rapid development of the computing technology, energy efficiency and size requirements of semiconductor devices are becoming increasingly demanding. However, the conventional ferroelectric materials, which have been limited by physical size restrictions, can no longer satisfy the above requirements. Two-dimensional (2D) ferroelectric materials can effectively overcome the size limitation of traditional ferroelectrics due to the weak van der Waals force between layers, which is easy to thin while retaining their own unique properties. Currently, a small number of 2D materials have been proved to be ferroelectric properties by experiments and have shown great application potential in nanoscale electrical and optoelectronic devices, expected to become the leaders of next-generation computing. In this review, the current 2D ferroelectric materials are summarized and discussed in detail from seven aspects: theoretical prediction, fabrication methods, ferroelectric characterization methods, principles of typical 2D ferroelectrics, optimization methods of ferroelectric performance, application, and challenges. Finally, the development of 2D ferroelectric materials looks into the future.

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Strain-induced variations in the Raman and infrared spectra of monolayer InSe: A first-principles study

Zeng,

Chen,

Jiang

et al. 2024

Journal of Applied Physics

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Monolayer indium selenide (InSe), a two-dimensional material, exhibits exceptional electronic and optical properties that can be significantly modulated via strain engineering. This study employed density functional theory to examine the structural and vibrational properties of monolayer InSe under varying biaxial strains. Phonon dispersion analysis confirmed the stability of monolayer InSe, as indicated by the absence of imaginary frequencies. The study extensively detailed how Raman and infrared spectra adjust under strain, showing shifts in peak positions and variations in intensity that reflect changes in lattice symmetry and electronic structures. Specific findings include the stiffening of the A′1 mode and the increased intensity of E″ and E′ modes under strain, suggesting enhanced polarizability and asymmetric vibrations. Moreover, the Raman intensity for the E′ mode at 167.3 cm−1 increased under both tensile and compressive strain due to enhanced polarizability and symmetry disruption, while the IR intensity for the A″2 mode at 192.1 cm−1 decreased, likely from diminished dipole moment changes. In contrast, the low-frequency modes, such as E″ at 36.8 cm−1, demonstrated insensitivity to strain, implying a minimal impact on heavier atoms within these modes. Overall, this study highlights the sensitivity of vibrational modes to strain-induced changes, providing valuable insights into the behavior of monolayer InSe under mechanical stress.

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Electron transport, ferroelectric, piezoelectric and optical properties of two-dimensional In₂Te₃: a first-principles study

Abstract: Two-dimensional (2D) materials have garnered significant interest in the fields of optoelectronics and electronics due to their unique and diverse properties. In this work, the electron transport, ferroelectric, piezoelectric, and...

Cited by 3 publications

References 55 publications

Thermoelectric properties of ferroelectric α-In2X3 (X = S, Se, Te) monolayers: A first-principles study

Thermoelectric properties of ferroelectric α-In2X3 (X = S, Se, Te) monolayers: A first-principles study

The evolution of 2D vdW ferroelectric materials: Theoretical prediction, experiment confirmation, applications

Strain-induced variations in the Raman and infrared spectra of monolayer InSe: A first-principles study

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Electron transport, ferroelectric, piezoelectric and optical properties of two-dimensional In2Te3: a first-principles study

Abstract: Two-dimensional (2D) materials have garnered significant interest in the fields of optoelectronics and electronics due to their unique and diverse properties. In this work, the electron transport, ferroelectric, piezoelectric, and...

Cited by 3 publications

References 55 publications

Thermoelectric properties of ferroelectric α-In2X3 (X = S, Se, Te) monolayers: A first-principles study

Thermoelectric properties of ferroelectric α-In2X3 (X = S, Se, Te) monolayers: A first-principles study

The evolution of 2D vdW ferroelectric materials: Theoretical prediction, experiment confirmation, applications

Strain-induced variations in the Raman and infrared spectra of monolayer InSe: A first-principles study

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Product

Resources

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Electron transport, ferroelectric, piezoelectric and optical properties of two-dimensional In₂Te₃: a first-principles study