Experimental and theoretical study of band structure of InSe and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">In</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi>−</mml:mi><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ga</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mi mathvariant="normal">Se</mml:mi></mml:math><m

Manjón, F. J.; Errandonea, Daniel; Segura, A.; Muñoz, V.; Sandoval, Stefania; Ordejón, Pablo; Canadell, Enric

doi:10.1103/physrevb.63.125330

Cited by 78 publications

(90 citation statements)

References 49 publications

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“…While in its bulk form InSe [22][23][24][25][26][27][28][29][30][31][32][33][34][35][36] is a direct gap semiconductor 37 , its electronic structure undergoes significant changes upon exfoliation to few-layer or monolayer thickness, with particularly interesting optical properties observed in recent experiments 1,38 . Density functional theory (DFT) calculations for single layer crystals of InSe 39,40 predict a large increase in the band gap as compared to bulk crystals, with the valence band maximum slightly shifted from the Γ point.…”

Section: Introductionmentioning

confidence: 99%

Electronic and optical properties of two-dimensional InSe from a DFT-parametrized tight-binding model

2016

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We present a tight-binding (TB) model and k · p theory for electrons in monolayer and few-layer InSe. The model is constructed from a basis of all s and p valence orbitals on both indium and selenium atoms, with tight-binding parameters obtained from fitting to independently computed density functional theory (DFT) band structures for mono-and bilayer InSe. For the valence and conduction band edges of few-layer InSe, which appear to be in the vicinity of the Γ point, we calculate the absorption coefficient for the principal optical transitions as a function of the number of layers, N . We find a strong dependence on N of the principal optical transition energies, selection rules, and optical oscillation strengths, in agreement with recent observations 1 . Also, we find that the conduction band electrons are relatively light (m ∝ 0.14 − 0.18me), in contrast to an almost flat, and slightly inverted, dispersion of valence band holes near the Γ-point, which is found for up to N ∝ 6.

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Section: Introductionmentioning

confidence: 99%

Electronic and optical properties of two-dimensional InSe from a DFT-parametrized tight-binding model

2016

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“…Among these results, it should be emphasized the fact that experimental and calculated band structure place the valence-band maximum in GaTe at zone border at Z, similarly as occurs in the InSe compound. 29 Nevertheless, despite the good agreement obtained through the whole reciprocal space studied, there still remains one point of discrepancy related to the two topmost valencebands at Γ [Figs. 4(c) and 6(d)], since the binding energy of the minimum of these bands appear to be overestimated by calculations.…”

Section: Resultsmentioning

confidence: 99%

Angle-resolved photoemission study and first-principles calculation of the electronic structure of GaTe

et al. 2002

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The electronic band structure of GaTe has been calculated by numerical atomic orbitals densityfunctional theory, in the local density approximation. In addition, the valence-band dispersion along various directions of the GaTe Brillouin zone has been determined experimentally by angle-resolved photoelectron spectroscopy. Along these directions, the calculated valence-band structure is in good concordance with the valence-band dispersion obtained by these measurements. It has been established that GaTe is a direct-gap semiconductor with the band gap located at the Z point, that is, at Brillouin zone border in the direction perpendicular to the layers. The valence-band maximum shows a marked p-like behavior, with a pronounced anion contribution. The conduction band minimum arises from states with a comparable s-p-cation and p-anion orbital contribution. Spinorbit interaction appears to specially alter dispersion and binding energy of states of the topmost valence bands lying at Γ. By spin-orbit, it is favored hybridization of the topmost pz-valence band with deeper and flatter px-py bands and the valence-band minimum at Γ is raised towards the Fermi level since it appears to be determined by the shifted up px-py bands.

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“…4 Additional work on the In 1−x Ga x Se series includes experimental and theoretical studies on the band structure of In 1−x Ga x Se under high pressure. 12 In this work we present magnetic and transport measurements on In 1−x Mn x Se. This builds on recent measurements in In 1−x Ga x Se and expands the exploration of the class of III-VI DMS into the fourth III-VI DMS system investigated to date complementing previous work on Ga 1−x Mn x Se, 1 Ga 1−x Mn x S, 18,19 and Ga 1−x Fe x Se.…”

Section: Introductionmentioning

confidence: 99%

“…The III-VI DMSs take the form A 1−x III M x B VI . The III-VI semiconductors GaSe, [1][2][3][4][5][6][7] InSe, 3,[6][7][8][9][10][11][12] GaTe, 13 and GaS ͑Refs. 14-16͒ have received considerable interest in the last few years because of their remarkable nonlinear optical properties.…”

Section: Introductionmentioning

confidence: 99%

Magnetic and transport measurements on the layered III-VI diluted magnetic semiconductor In1−xMnxSe

Pekarek¹,

Arenas²,

Miotkowski³

et al. 2005

Journal of Applied Physics

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Magnetic and transport properties of single-crystalline In 1−x Mn x Se ͑x = 0.01 and 0.10͒ have been measured. In 1−x Mn x Se exhibits a prominent magnetization hysteresis between 90 and 290 K. In 1−x Mn x Se is conducting with increasing resistance at low temperatures and a small hysteresis between 90 and 290 K with the cooling trace having lower resistivity. The magnetization above and below the hysteresis is consistent with a paramagnetic signal. A Curie-Weiss fit to the data yields a value of J eff / k B = −240 K. The data are consistent with a saturated component contributing to the hysteresis and a paramagnetic phase that scales with concentration.

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Experimental and theoretical study of band structure of InSe andIn1−xGaxSe

Cited by 78 publications

References 49 publications

Electronic and optical properties of two-dimensional InSe from a DFT-parametrized tight-binding model

Electronic and optical properties of two-dimensional InSe from a DFT-parametrized tight-binding model

Angle-resolved photoemission study and first-principles calculation of the electronic structure of GaTe

Magnetic and transport measurements on the layered III-VI diluted magnetic semiconductor In1−xMnxSe

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