Makale detayı · 2024
Exploring electronic, structural, optical, and elastic properties of MgX2O6 (x = Ta, Nb) compounds for photovoltaic and optoelectronic applications: first study effort
YÖKSİS
OpenAlex
Açık erişim · hybrid
SJR Q3
JCR Q3
Atıf 4
Yüzdelik 55.8%
FWCI 0.46
- Yıl
- 2024
- ISSN
0973-1458- Tür
- article
Veri kaynağı ayrımı
- YÖKSİS YÖKSİS makale kaydı
- OpenAlex OpenAlex zenginleştirmesi (özet, atıf, konular)
Özet
İngilizce (OpenAlex)
Abstract In this study, the structural, optical, and elastic properties of tetragonal MgTa2O6 and orthorhombic MgNb2O6 were determined using the Wien2k and ABINIT computational programs with the aid of density functional theory. The results imply that both compounds are classified as wide band gap semiconductor with 4.143 eV (for MgTa2O6) and 3.653 eV (for MgNb2O6) with PBEsol-GGA + TB-mBJ approximation. The findings of bulk modulus, shear modulus, Young modulus, Poisson’s ratio, and anisotropy factors were determined and discussed in detail. The ductile behavior and the mechanism of structural stability were also explained.
Konular
- Microwave Dielectric Ceramics Synthesis
- Ferroelectric and Piezoelectric Materials
- Advanced ceramic materials synthesis
Birincil konu Microwave Dielectric Ceramics Synthesis