Fundamental optical and electrical properties of nano-Cu3VS4 thin film

The electronic structure of sulvanite structured semiconductors Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te): prospects for optoelectronic applications

“…The PBEsol+U optical band gaps provide good agreement with experiment, although it should be noted that there are a limited number of studies on these materials in the literature so only a few values are available for comparison. For Cu 3 TaS 4 and Cu 3 TaSe 4 , the systems with the largest optical band gaps of 2.60 eV and 2.22 eV, respectively, good agreement is obtained 44 although the former was estimated via infrared absorption and showed significant temperature dependence while the latter was determined by spectroscopic ellipsometry, which does not yield the band gap directly but fits the dielectric function to a chosen model. In addition, the calculated band gaps of Cu 3 VS 4 and Cu 3 VSe 4 correspond to wavelengths of greater than 700 nm, concurring with reports that these materials are black in colour.…”

“…43 Thin film Cu 3 VS 4 prepared by pulsed laser deposition (PLD) is also reported to be black with a band gap of 1.35 eV determined by spectroscopic ellipsometry. 44 Two previous density functional theory (DFT) studies performed with the PBE functional 45 reported fundamental indirect band gaps for Cu 3 VS 4 , Cu 3 NbS 4 , and Cu 3 TaS 4 of 1.02 eV, 1.64 eV, and 1.91 eV, respectively, 46 and 1.041 eV, 1.667 eV, and 1.815 eV, respectively, 47 although underestimation of band gap magnitude is a well documented issue with PBE calculations. 48,49 An investigation with Bader analysis predicted effective charges of 0.5, 1.5, and À0.75 on the Cu, transition metal, and S ions, respectively.…”

Synthesis and Size-Dependent Optical Properties of Intermediate Band Gap Cu3VS4 Nanocrystals

“…22 DFT-based methods have predicted Cu3VS4, also known as sulvanite, to possess an IB electronic structure which, jointly with its composition made solely of earth-abundant elements, make Cu3VS4 an interesting candidate for solar energy harvesting. 23,24,25,26 Among the IB semiconductors, only CuFeS2 has been synthesized in the form of colloidal NCs, and these studies have already evidenced intriguing physico-chemical properties and new opportunities for this novel class of NCs. 20,27,28 For instance, CuFeS2 NCs were employed as efficient photothermal agents in the biological window of 650-900nm due to their small size and strong near infrared (NIR) absorption.…”

Luminescence Properties of CaF2 Nanostructure Activated by Different Elements

“…A large number of individuals and research groups from different fields have produced different nanomaterials and studied their properties. These include structural, optical, electrical, magnetic, mechanical, and dosimetric properties [1][2][3][4][5]. Many methods of preparations have also been developed in the last two decades, where different nanostructures like nanoparticles, nanocubes, nanowires, nanorods, and so forth, of several materials have been produced [6,7].…”