2012
DOI: 10.1016/j.matchemphys.2012.04.064
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Electronic, optical and transport properties of α-, β- and γ-phases of spinel indium sulphide: An ab initio study

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Cited by 34 publications
(4 citation statements)
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“…In contrast, Karthikeyan et al reported an opposite trend as found for their In x S y deposited by pulsed direct magnetron sputtering [23]. From theoretical density calculations there is only a very small difference between direct and indirect transitions in β-In 2 S 3 [29,30].…”
Section: Discussionmentioning
confidence: 87%
“…In contrast, Karthikeyan et al reported an opposite trend as found for their In x S y deposited by pulsed direct magnetron sputtering [23]. From theoretical density calculations there is only a very small difference between direct and indirect transitions in β-In 2 S 3 [29,30].…”
Section: Discussionmentioning
confidence: 87%
“…Meanwhile, hybrid orbitals of In5s5p and Zn4s4p are contributed to the formation of the conduction band. 21,52 The valence and conduction band levels are shifted successively by changing the ratio of In 2 S 3 : ZnS. Therefore it is advantageous to tailor the band position to obtain optimal photocatalytic activity.…”
Section: Paper Catalysis Science and Technologymentioning
confidence: 99%
“…The room temperature b-In 2 S 3 has received more attention compared to other phases, while few physical properties of the other phases are predicted with the aid of theoretical calculations. 25,39,40 Nevertheless, the theoretical formation energy of the various phases has not been studied yet. Even though the b and g phases were shown to have the same ground state energy using the full potential linearized augmented planewave (FP-LAPW) method, 39 only the b-In 2 S 3 has been focused on with no further analysis on properties of g-In 2 S 3 .…”
Section: Introductionmentioning
confidence: 99%
“…25,39,40 Nevertheless, the theoretical formation energy of the various phases has not been studied yet. Even though the b and g phases were shown to have the same ground state energy using the full potential linearized augmented planewave (FP-LAPW) method, 39 only the b-In 2 S 3 has been focused on with no further analysis on properties of g-In 2 S 3 .…”
Section: Introductionmentioning
confidence: 99%