Modulation of electronic properties of monolayer InSe through strain and external electric field

Khoa, Doan Quoc; Nguyen, Duyen Thi Cam; Nguyen, Chuong V.; T.T., Vo; Phuc, Huynh V.; Phuong, Le T.T.; Hoi, Bui D.; Hieu, Nguyen N.

doi:10.1016/j.chemphys.2018.09.022

Cited by 19 publications

(5 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The band gaps of GaO‐H and GaO‐T monolayers are 1.51 and 1.43 eV, which are higher than the InSe monolayers of 1.39 and 1.30 eV. The result of InSe‐H monolayer is in good agreement with values of around 1.4 eV obtained in previous DFT calculations [3,27,31,33,34,36] . GaO‐H and GaO‐T monolayers have similar electronic band structures in the band‐edge states.…”

Section: Resultssupporting

confidence: 87%

“…The result of InSe-H monolayer is in good agreement with values of around 1.4 eV obtained in previous DFT calculations. [3,27,31,33,34,36] GaO-H and GaO-T monolayers have similar electronic band…”

Section: Structure Stability and Band Structurementioning

confidence: 99%

“…Theoretical research shows that the band alignment in heterostructures of group III monochalcogenides and the band gap can be tuned by strain, [3,28,31,32] and external electric field. The equilibrium medium indirect energy band gap of monolayer InSe is 1.38 eV, [33] which is almost twice as large as that of bulk InSe [34] . There is a transition from weakly indirect to direct excitons in atomically thin films of InSe [35] .…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study

Deng

2024

ChemPhysChem

View full text Add to dashboard Cite

Two crystal polymorphs of GaO consisting of GaO‐H and GaO‐T monolayers are proposed in this study. Based on the density functional theory calculations, the phonon dispersion demonstrates that both GaO‐H and GaO‐T monolayers could be stable. The band gaps of GaO‐H and GaO‐T monolayers are 1.51 and 1.43 eV, respectively. When an external electric field is applied, the band gaps of GaO monolayers are reduced dramatically, down to 0.13 eV with the field of 0.7 V/Å. Because of the decreased symmetry of C3v under an external electric field, more peaks of Raman spectra can be obtained. The angle‐dependent Raman spectra of A and A of GaO‐H monolayer, and A11g and A21g of GaO‐T monolayer are discussed seperately, with the incident lasers of 488 and 532 nm. Additionally, the Raman intensity distribution shows that the incident light should be parallel to the plane of the GaO monolayer to obtain more comparable Raman spectra. These investigations of the crystal polymorphs of GaO monolayers may guide the experimental investigations of GaO monolayers and potential optoelectronic applications.

show abstract

Section: Resultssupporting

confidence: 87%

Section: Structure Stability and Band Structurementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study

Deng

2024

ChemPhysChem

View full text Add to dashboard Cite

show abstract

“…Group III monochalcogenides (M III Xs, where M III represents a group III element and X represents a chalcogen), a family of monolayered semiconducting materials, have attracted much research interest in recent years 1–8 . M III Xs are semiconductors with moderate bandgaps which are sensitive to the number of layers in the material 9 .…”

Section: Introductionmentioning

confidence: 99%

First-principles investigation on electronic properties and band alignment of group III monochalcogenides

Ren

Wang

Tian

et al. 2019

Sci Rep

View full text Add to dashboard Cite

Using first-principles calculations, we investigated the electronic properties and band alignment of monolayered group III monochalcogenides. First, we calculated the structural and electronic properties of six group III monochalcogenides (GaS, GaSe, GaTe, InS, InSe, and InTe). We then investigated their band alignment and analysed the possibilities of forming type-I and type-II heterostructures by combining these compounds with recently developed two-dimensional (2D) semiconducting materials, as well as forming Schottky contacts by combining the compounds with 2D Dirac materials. We aim to provide solid theoretical support for the future application of group III monochalcogenides in nanoelectronics, photocatalysis, and photovoltaics.

show abstract

“…In the current study, we apply a strain of from 0 to ±10%, in which compressive strain is represented by the negative sign and tensile strain by the positive sign. Previous studies [38][39][40][41][42] indicated that the strain could result in a phase transition in 2D structures. In order to evaluate the modication of the electronic states of XCrSiN 2 , we applied the volumetric expansion to the unit cell of the current three structures and the tuning of electronic properties by strain 3 b is considered.…”

Section: Electronic Propertiesmentioning

confidence: 99%

First-principles examination of two-dimensional Janus quintuple-layer atomic structures XCrSiN₂ (X = S, Se, and Te)

et al. 2023

Self Cite

View full text Add to dashboard Cite

show abstract

Modulation of electronic properties of monolayer InSe through strain and external electric field

Cited by 19 publications

References 39 publications

Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study

Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study

First-principles investigation on electronic properties and band alignment of group III monochalcogenides

First-principles examination of two-dimensional Janus quintuple-layer atomic structures XCrSiN₂ (X = S, Se, and Te)

Contact Info

Product

Resources

About

Modulation of electronic properties of monolayer InSe through strain and external electric field

Cited by 19 publications

References 39 publications

Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study

Angle‐Dependent Raman Spectra of Crystal Polymorphs of GaO: A Computational Study

First-principles investigation on electronic properties and band alignment of group III monochalcogenides

First-principles examination of two-dimensional Janus quintuple-layer atomic structures XCrSiN2 (X = S, Se, and Te)

Contact Info

Product

Resources

About

First-principles examination of two-dimensional Janus quintuple-layer atomic structures XCrSiN₂ (X = S, Se, and Te)