2022   02   en   p.21-23 R.A. Hasanova,
Theoretical study of electronic properties of Ag2Te
 pdf 

ABSTRACT

The electronic band structure and density of state calculations were performed for the low-temperature modification of a silver chalcogenide - β-Ag2Te through Atomistic Simulation Software Quantum ATK. The structures are characterized by three, four and five coordinations of silver by the chalcogen. According to the band structure calculations, β-Ag2Te is semiconductor with an about 0.1–0.2 eV forbidden zone. The calculations have shown that β-Ag2Te has a very low DOS in the energy range from about –0.1 to +0.5 eV.

Keywords: electronic band structure, chalcogenide, density of state, silver, semiconductor.
PACS: 72.25.Pa; 71.23.An

Received: 05.04.2022

AUTHORS & AFFILIATIONS

Institute of Physics of Azebaijan NAS H. Javid ave 131, Baku, AZ-1143
E-mail:
REFERENCIES

[1]   W. Zhang, R. Yu, W. Feng et al. Topological aspect and quantum magnetoresistence of β- Ag2Te. Physical Review Letters., 2011, 106, № 4, pp.156808 (1-4).
[2]   C.Z. Gottlieb, W. Kane, F.A. Walsch et al. Electrical properties of Ag2Te-I. Phys.an Chem. Sol., 1960, № 107, pp.977-982.
[3]   C.M. Fang, R.A. De Groot, G.A. Wiegers. Ab initio band structure calculations of the low-temperature phases of Ag2Se, Ag2Te and Ag3AuSe2. Journal of Physics and Chemistry of Solids., 2002, № 63, pp. 457-464.
[4]   V. Vassilev, V. Vachkov, S. Parvanov. On one possibility of application of new thermoelectric materials based on Ag2Te. Transactions of Faculty of Mathematics and Natural Sciences, section: Chemistry., 2011, pp.147-154.
[5]   L. Dong, A. Wang, E. Li et al. Formation of two-dimensional AgTe monolayer atomic crystal Ag (111) substrate. Chin. Phys. Lett., 2019, vol. 36, № 2, pp. 028102 (1-3).
[6]   D. Yung, K. Kurosaki, Y. Ohishi et al. Effect of phase transition on the thermoelectric properties of Ag2Te. Materials Transactions., 2012, vol. 53, № 7, pp. 1216-1219.
[7]   Van der Lee, A. and J.L. de Boer. Redetermination of the structure of hessite, Ag2Te-III. Acta Crystallographica, 1959, vol. 49, pp. 1444-1446.
[8]   S.O. Mammadova. Electronic and magnetic properties of A15 and D8m phase Ti3Sb. Proceedings of 7th International Conference MTP-2021: Modern Trends in Physics, pp. 23-30.