Local and electronic structure of tribological materials: XANES analysis

3D local structure refinement using full-potential XANES analysis

ساختار کلاسهایی از حلقه های z- موضعی و c- موضعی the structure of some classes of z-local and c-local rings

فرض کنیمr یک حلقه تعویض پذیر ویکدار موضعی باشدو(j(r رایکال جیکوبسن r و(z(r مجموعه مقسوم علیه های صفر حلقه r باشد.گوییم r یک حلقه z- موضعی است هرگاه j(r)^2=. .همچنین برای یک حلقه تعویض پذیر r فرض کنیم c یک عنصر ناصفر از (z( r باشد با این خاصیت که cz( r)=0 گوییم حلقه موضعی r یک حلقه c - موضعی است هرگاه و{0 و z(r)^2={cو z(r)^3=0, نیز xz( r)=0 نتیجه دهد که x عضو {c,0 } است. در این پایان نامه ساخ...

Local Electronic Structure of PbVO3, a New Member of PbTiO3 Family, studied by XANES/ELNES

Recently an interesting multi-ferroic system PbVO3 [Chem. Mater. 2004] was successfully prepared using a high-pressure and high-temperature technique. The crystallographic features were reported. In this note we concentrate on the theoretical XANES spectra by considering the K-edge of Vanadium. The tetragonality [c/a=1.229 at 300 K] of PbVO3 is the largest in the PbTiO3 family of compounds. Thu...

Electronic structure effects on B K-edge XANES of minerals.

In order to assess the usability of X-ray absorption near-edge structure (XANES) for studying the structure of BO(n)-containing materials, the dependence of theoretical XANES at the B K-edge on the way the scattering potential is constructed is investigated. Real-space multiple-scattering calculations are performed for self-consistent and non-self-consistent potentials and for different ways of...

Electronic Structure of Crystalline Materials