Makale detayı · 2022
Comprehensive theoretical investigation of electronic, structural, optical, elastic, and thermodynamic properties of orthorhombic SrTa2O6 compound
YÖKSİS
OpenAlex
SJR Q3
JCR Q4
Atıf 4
Yüzdelik 31.5%
FWCI 0.14
- Yıl
- 2022
- ISSN
0008-4204- Tür
- article
Veri kaynağı ayrımı
- YÖKSİS YÖKSİS makale kaydı
- OpenAlex OpenAlex zenginleştirmesi (özet, atıf, konular)
Özet
İngilizce (OpenAlex)
The structural, optical, dynamic, elastic, and thermodynamical properties of orthorhombic SrTa2O6 were computed using density functional theory via two computation codes, namely Wien2k and ABINIT. The findings reveal that SrTa2O6 is a wide bandgap semiconductor with 4.6 eV using the TB-mBJ approximation. The results of bulk modulus, shear modulus, Young's modulus, Poisson's ratio, anisotropy factors, and Debye's temperature were obtained and discussed in detail. Moreover, The ductile behavior and structural stability mechanism were also explained.
Konular
- Electronic and Structural Properties of Oxides
- Advanced Condensed Matter Physics
- Microwave Dielectric Ceramics Synthesis
Birincil konu Electronic and Structural Properties of Oxides