Estimation of band gap of muscovite mineral using thermoluminescence (TL) analysis

Kalita, J.M.; Wary, G.

doi:10.1016/j.physb.2016.01.009

Cited by 17 publications

(11 citation statements)

References 31 publications

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“…The muscovite behaves as insulators, with a band gap of 4.83 eV. However, the band gap of muscovite has been verified to be around 5.09 eV [33]. This calculated value is typically underestimated, due to well-known limitations in DFT calculations [34].…”

Section: Electronic Properties Of Vanadium-bearing Muscovitementioning

confidence: 99%

Optimal Location of Vanadium in Muscovite and Its Geometrical and Electronic Properties by DFT Calculation

et al. 2017

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Vanadium-bearing muscovite is the most valuable component of stone coal, which is a unique source of vanadium manufacture in China. Numbers of experimental studies have been carried out to destroy the carrier muscovite's structure for efficient extraction of vanadium. Hence, the vanadium location is necessary for exploring the essence of vanadium extraction. Although most infer that vanadium may substitute for trivalent aluminium (Al) as the isomorphism in muscovite for the similar atomic radius, there is not enough experimental evidence and theoretical supports to accurately locate the vanadium site in muscovite. In this study, the muscovite model and optimal location of vanadium were calculated by density functional theory (DFT). We find that the vanadium prefers to substitute for the hexa-coordinated aluminum of muscovite for less deformation and lower substitution energy. Furthermore, the local geometry and relative electronic properties were calculated in detail. The basal theoretical research of muscovite contained with vanadium are reported for the first time. It will make a further influence on the technology development of vanadium extraction from stone coal.

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Section: Electronic Properties Of Vanadium-bearing Muscovitementioning

confidence: 99%

Optimal Location of Vanadium in Muscovite and Its Geometrical and Electronic Properties by DFT Calculation

et al. 2017

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“…Kaur et al determined the bandgap of the mica to be 3.4 eV 35 . Thermoluminescence experiments by Kalita et al derived the bandgap to be 5.09 eV 36 , while diffuse reflectance spectrum measurement generates an optical bandgap of ∼ 4.65 7 . Thus it is difficult to make comparison between our calculations and experimental work.…”

Section: Resultsmentioning

confidence: 99%

Origin of observed narrow bandgap of mica nanosheets

Lee

2022

Sci Rep

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Mica nanosheets possess peculiar feature of narrowed bandgap with the decrease of thickness but a conclusive theoretical understanding of the narrowing mechanisms is still under development. In this report, first-principles calculations were carried out to investigate the electronic band structure of mica nanosheets with the deposition of K2CO3. Bulk mica shows an indirect bandgap of 4.90 eV. Mica nanosheets show similar electronic structures to bulk mica with a gradually increased bandgap of 4.44 eV, 4.52 eV and 4.67 eV for 1-layer, 2-layers and 3-layers nanosheets, respectively, which is attributed to the lattice relaxation. K2CO3 is found to have strong affinity towards mica nanosheets. The K2CO3 deposited mica nanosheets showed an increased bandgap with the increase of thickness, consistent with experimental observations. The calculated bandgap of K2CO3 deposited mica for 2-layers and 3-layers nanosheets are 2.60 eV and 2.75 eV, respectively, which are comparable with the corresponding experimental values of 2.5 eV and 3.0 eV. Our theoretical findings support the experimental evidence of surface contamination of mica by K2CO3, and provide new insight into the structure and properties of 2D mica.

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“…The mica family is formed by very closely related layered silicates such as muscovite (with formula KAl 2 (AlSi 3 )O 10 (OH) 2 ), biotite (with formula K(Mg,Fe) 3 (AlSi 3 )O 10 (OH) 2 ), lepidolite (with formula K(Li,Al) 2-3 (AlSi 3 )O 10 (OH) 2 ), and phlogopite (with formula KMg 3 (AlSi 3 )O 10 (OH) 2 ). Most of the previous works on exfoliated micas are focused on muscovite mica, a wide band insulator (5.1 eV of direct gap) with a large dielectric constant (~10) in its bulk form 131,132 . The exfoliation of layered materials with stronger interlayer forces has rarely been reported and mica is one of these few cases.…”

Section: Nesosilicatesmentioning

confidence: 99%

“…Most of the previous works on exfoliated micas are focused on muscovite mica, a wide band insulator (5.1 eV of direct gap) with a large dielectric constant (~10) in its bulk form. 133,134 The exfoliation of layered materials with stronger interlayer forces has rarely been reported and mica is one of these few cases. In fact, muscovite mica has been successfully exfoliated down to a single-layer by mechanical exfoliation and their optical properties 10,12 as well as their mechanical properties have been studied finding an optical method to determine its thickness and a Young's modulus of ~200 GPa, higher than that of bulk muscovite (~175 GPa).…”

Section: Phyllosilicates: Clays Micas and Chloritesmentioning

confidence: 99%

Naturally occurring van der Waals materials

et al. 2020

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The exfoliation of two naturally occurring van der Waals minerals, graphite and molybdenite, arouse an unprecedented level of interest by the scientific community and shaped a whole new field of research: 2D materials research. Several years later, the family of van der Waals materials that can be exfoliated to isolate 2D materials keeps growing, but most of them are synthetic. Interestingly, in nature, plenty of naturally occurring van der Waals minerals can be found with a wide range of chemical compositions and crystal structures whose properties are mostly unexplored so far. This Perspective aims to provide an overview of different families of van der Waals minerals to stimulate their exploration in the 2D limit.

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Estimation of band gap of muscovite mineral using thermoluminescence (TL) analysis

Cited by 17 publications

References 31 publications

Optimal Location of Vanadium in Muscovite and Its Geometrical and Electronic Properties by DFT Calculation

Optimal Location of Vanadium in Muscovite and Its Geometrical and Electronic Properties by DFT Calculation

Origin of observed narrow bandgap of mica nanosheets

Naturally occurring van der Waals materials

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