Tight-binding model for borophene and borophane

Calculation for Energy of (111) Surfaces of Palladium in Tight Binding Model

In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...

tight frame approximation for multi-frames and super-frames

در این پایان نامه یک مولد برای چند قاب یا ابر قاب تولید شده تحت عمل نمایش یکانی تصویر برای گروه های شمارش پذیر گسسته بررسی خواهد شد. مثال هایی از این قاب ها چند قاب های گابور، ابرقاب های گابور و قاب هایی برای زیرفضاهای انتقال پایاست. نشان می دهیم که مولد چند قاب تنک نرمال شده (ابرقاب) یکتا وجود دارد به طوری که مینیمم فاصله را از ان دارد. همچنین مسایل مشابه برای قاب های دوگان مطرح شده و برخی ...

A tight binding model for water.

We demonstrate for the first time a tight binding model for water incorporating polarizable oxygen atoms. A novel aspect is that we adopt a "ground up" approach in that properties of the monomer and dimer only are fitted. Subsequently we make predictions of the structure and properties of hexamer clusters, ice-XI and liquid water. A particular feature, missing in current tight binding and semie...

Scalable tight-binding model for graphene.

Artificial graphene consisting of honeycomb lattices other than the atomic layer of carbon has been shown to exhibit electronic properties similar to real graphene. Here, we reverse the argument to show that transport properties of real graphene can be captured by simulations using "theoretical artificial graphene." To prove this, we first derive a simple condition, along with its restrictions,...

Effective-medium tight-binding model for silicon.