Insight on a novel layered semiconductors: CuTlS and CuTlSe

Aliev Z. S., Zúñiga F. J., Koroteev Y. M., Breczewski T., Babanly N. B., Amiraslanov I. R., ...daha çox

Journal of Solid State Chemistry, vol.242, pp.1-7, 2016 (SCI-Expanded, Scopus) identifier

  • Nəşrin Növü: Article / Article
  • Cild: 242
  • Nəşr tarixi: 2016
  • Doi nömrəsi: 10.1016/j.jssc.2016.05.036
  • jurnalın adı: Journal of Solid State Chemistry
  • Jurnalın baxıldığı indekslər: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Səhifə sayı: pp.1-7
  • Açar sözlər: Band structure, Copper thallium chalcogenides, Crystal growth, Crystal structure, Layered semiconductors
  • Açıq Arxiv Kolleksiyası: Məqalə
  • Adres: Bəli

Qısa məlumat

Single crystals of the ternary copper compounds CuTlS and CuTlSe have been successfully grown from stoichiometric melt by using vertical Bridgman-Stockbarger method. The crystal structure of the both compounds has been determined by powder and single crystal X-Ray diffraction. They crystallize in the PbFCl structure type with two formula units in the tetragonal system, space group P4/nmm, а=3.922(2); c=8.123(6); Z=2 and а=4.087(6); c=8.195(19) Å; Z=2, respectively. The band structure of the reported compounds has been analyzed by means of full-potential linearized augmented plane-wave (FLAPW) method based on the density functional theory (DFT). Both compounds have similar band structures and are narrow-gap semiconductors with indirect band gap. The resistivity measurements agree with a semiconductor behavior although anomalies are observed at low temperature.