first-principles investigation of density of states and electron density in wurtzitein0.5ga0.5nalloys with gga-pbesol method
نویسندگان
چکیده
in present work, we have calculated the electronic properties including density of states (dos) and electron density for gan, inn and in wurtzite phase for x=0.5. the study is based on density functional theory (dft) with full potential linearized augmented plane wave method (fp-lapw) by generalized gradient approximation (gga-pbesol) for calculating electronic properties. in this report we concluded that inxga1-xn band gap, which would be decreased with increasing in concentration and gan is very sensitive on in content. in present work, we have calculated the electronic properties including density of states (dos) and electron density for gan, inn and in wurtzite phase for x=0.5. the study is based on density functional theory (dft) with full potential linearized augmented plane wave method (fp-lapw) by generalized gradient approximation (gga-pbesol) for calculating electronic properties. in this report we concluded that inxga1-xn band gap, which would be decreased with increasing in concentration and gan is very sensitive on in content.
منابع مشابه
First-Principles Investigation of Density of States and Electron Density in Wurtzite In0.5Ga0.5 N Alloys with GGA-PBEsol Method
In present work, we have calculated the electronic properties including density of states and electron density for GaN, InN and InxGa1-xN in wurtzite phase for x=0.5. The study is based on density functional theory with full potential linearized augmented plane wave method by generalized gradient approximation for calculating electronic properties. In this report we concluded that InxGa1-xN ba...
متن کاملfirst-principles investigation of density of states and electron density in wurtzite in0.5ga0.5 n alloys with gga-pbesol method
in present work, we have calculated the electronic properties including density of states and electron density for gan, inn and inxga1-xn in wurtzite phase for x=0.5. the study is based on density functional theory with full potential linearized augmented plane wave method by generalized gradient approximation for calculating electronic properties. in this report we concluded that inxga1-xn ba...
متن کاملFirst principles studies on band structures and density of states of graphite surface oxides
Graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. Structural and electronic properties for graphite-oxygen complexes have been explored using first-principles total-energy calculations within the local density approximation (LDA). Band structures and density of states for the propose carbon 3D models are reported. A finite energy gap and...
متن کاملFirst principles studies on band structures and density of states of graphite surface oxides
Graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. Structural and electronic properties for graphite-oxygen complexes have been explored using first-principles total-energy calculations within the local density approximation (LDA). Band structures and density of states for the propose carbon 3D models are reported. A finite energy gap and...
متن کاملfirst principles studies on band structures and density of states of graphite surface oxides
graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. structural and electronic properties for graphite-oxygen complexes have been explored using first-principles total-energy calculations within the local density approximation (lda). band structures and density of states for the propose carbon 3d models are reported. a finite energy gap and...
متن کاملمنابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
journal of nanostructuresجلد ۶، شماره ۴، صفحات ۲۷۳-۲۷۷
میزبانی شده توسط پلتفرم ابری doprax.com
copyright © 2015-2023