کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7938028 1513103 2015 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Nowotny-Juza NaZnX (X = P, As and Sb) as photovoltaic materials
موضوعات مرتبط
مهندسی و علوم پایه مهندسی انرژی انرژی های تجدید پذیر، توسعه پایدار و محیط زیست
پیش نمایش صفحه اول مقاله
Nowotny-Juza NaZnX (X = P, As and Sb) as photovoltaic materials
چکیده انگلیسی
The electronic band structures of Nowotny-Juza NaZnX (X = P, As and Sb) compounds suggest that the valence band maximum (VBM) and the conduction band minimum (CBM) are located at the center of the Brillouin zone, resulting in a direct band gap of about 1.80, 1.47 and 0.25 eV, respectively. The total and the partial density of states explore the type of orbitals which rule the band gaps and to classify the hybridizations between the orbitals. The VBM is formed mainly by P-p, As-p, Sb-p, Zn-p and Na-p states with substituting P → As → Sb. The CBM of NaZnP is formed by Zn-s, Na-s/p, while the CBM of NaZnAs (NaZnSb) is formed by Zn-s and As-d (Zn-s and Sb-d), one can see that As-d and Sb-d orbitals govern the CBM of NaZnAs and NaZnSb, hence these orbitals rule the energy gaps. It is clear that there exists a strong hybridizations between Na-s/p and As-d states, Zn-s/p and P-p states, Sb-p and Zn-s states and also between Sb-d and Na-s states. The strong hybridization may led to form a strong covalent bonding between these atoms. For more detail and to get deep insight into the electronic structures, the optical properties were investigated. The uniaxial anisotropy and the birefringence values confirm the existence of the considerable anisotropy between the two components of the optical properties. The calculation confirm that these compounds are promising candidates for optoelectronics devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solar Energy - Volume 115, May 2015, Pages 430-440
نویسندگان
,