Bulk Modulus, Elastic Constants, and Force Constants of Interatomic Bonds of II–III2–VI4 Compounds

Mamedova I. A., Cahangirli Z., Kerimova T. G., Abdullayev N. A.

Physica Status Solidi (B) Basic Research, vol.260, no.6, 2023 (SCI-Expanded, Scopus) identifier

  • Nəşrin Növü: Article / Article
  • Cild: 260 Say: 6
  • Nəşr tarixi: 2023
  • Doi nömrəsi: 10.1002/pssb.202200441
  • jurnalın adı: Physica Status Solidi (B) Basic Research
  • Jurnalın baxıldığı indekslər: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Chemical Abstracts Core, Communication Abstracts, Compendex, INSPEC, Metadex, Civil Engineering Abstracts
  • Açar sözlər: chalcopyrites, elastic constants, force constants, phonons, Raman scattering, reduced mass
  • Açıq Arxiv Kolleksiyası: Məqalə
  • Adres: Bəli

Qısa məlumat

Ab initio density functional perturbation theory is used to calculate the elastic constants of CdGa2S4, CdGa2Se4, CdGa2Te4, and ZnGa2Se4 thiogallates. The values of the bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are determined. The force constants of interatomic bonds in CdGa2Te4 and ZnGa2Se4 compounds are calculated. Regularities in the dependence of the frequencies of Raman-active phonons on the atomic masses are established.