Synthesis, physicochemical characterization and crystallographic twinning of Li2ZnSnS4

The crystal and electronic band structure of the diamond-like semiconductor Ag2ZnSiS4

“…This wurtz-kesterite structure type was also observed in the more recent study by Lekse et al (2008) for the compound Li 2 ZnSnS 4 [23]. However, the structure of Ag 2 ZnSiS 4 was not completely unexpected, due to the predictions from Chen et al in 2010 who preformed Madelung energy calculations for different structure types on a number of known and predicted diamond-like compounds and predicted Pc (equivalent to Pn) to be the most energetically favorable for Ag 2 ZnSiS 4 [27].…”

“…These distances compare well to those found for the quaternary DLS compounds Ag 2 HgSnS 4 with an average Ag S bond length of 2.43(2)Å [21] and the related compound Ag 2 ZnGeS 4 with an average Ag S bond length of 2.578(5)Å [22]. The Zn S bond has an average length of 2.344(2)Å which corresponds well with the average of 2.372(1)Å and 2.35(2)Å found in Ag 2 ZnGeS 4 [22] and Li 2 ZnSnS 4 , respectively [23]. The distances of the Si S bonds average 2.128(4)Å in accordance to the bond lengths found in Cu 2 MnSiS 4 and Cu 2 ZnSiS 4 which have averages of 2.136(1)Å [24] and 2.136(1)Å [25], respectively.…”

Polarization-dependent electrolyte electroreflectance study of Cu2ZnSiS4 and Cu2ZnSiSe4 single crystals

“…In these compounds each sulfur/selenium atom has four nearest neighbor cation atoms (two copper atoms, a zinc, and a silicon atom) at the corners of the surrounding tetrahedron [1][2][3][4]. The quaternary chalcogenide semiconductors have drawn wide interest for their nonlinear optical properties [5,6] and potential application as solar-cell absorbers [7][8][9], photocatalysts for solar water splitting [10,11], and high-temperature thermoelectric materials [12,13]. Despite their interesting optical and thermoelectric properties, and possible applications, up-to-date, only a few studies have been reported concerning the basic properties of Cu 2 ZnSiS 4 (Se 4 ), due to the difficulty of preparing suitable size, compositionally homogeneous and high purity single crystals.…”

Absorption-edge anisotropy of Cu2ZnSiQ4 (Q = S, Se) quaternary compound semiconductors

“…In these compounds each sulfur/selinium atom has four nearest neighbor cation atoms (two copper atoms, one zinc atom, and a silicon atom) at the corners of the surrounding tetrahedron [1][2][3] . These materials are of interest for its nonlinear optical properties [4,5] and potential for high-temperature thermoelectric [6] and optoelectronics [7] applications. Despite their interesting optical and thermoelectric properties, and possible applications, up-to-date, only a few studies have been reported concerning the basic properties of Cu 2 ZnSiQ 4 , due to the difficulty of preparing suitable size, compositionally homogeneous and high purity single crystals.…”