Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles

Lattice relaxations and hyperfine fields of heavy impurities in Fe

We present first-principles calculations of the lattice relaxations and hyperfine fields of heavy impurities in bcc Fe. We consider impurities of the 5sp and 6sp series, containing the largest atoms in the periodic table. As an application we calculate the hyperfine fields of these impurities and in particular the effects of lattice relaxations on these fields. The calculations are based on a f...

Valley Hall effect in disordered monolayer MoS2 from first principles

focus on communication in iranian high school language classes: a study of the role of teaching materials in changing the focus onto communication in language classes

چکیده ارتباط در کلاس به عوامل زیادی از جمله معلمان، دانش آموزان، برنامه های درسی و از همه مهم تر، مواد آموزشی وابسته است. در تدریس ارتباطی زبان که تاکید زیادی بر توانش ارتباطی دارد، کتاب درسی به عنوان عامل موثر بر پویایی کلاس محسوب میگردد که درس ها را از طریق فراهم آوردن متن ارتباط کلاسی و هم چنین نوع تمرین زبانی که دانش آموزان در طول فعالیت های کلاسی به آن مشغول اند، کنترل می کند. این حقیقت ک...

First - principles studies of CrN - based materials

Thermal properties of materials from first principles

In the search of clean and efficient energy sources intermediate temperature solid oxide fuel cells are among the prime candidates. What sets the limit of their efficiency is the solid electrolyte. A promising material for the electrolyte is ceria. This thesis aims to improve the characteristics of these electrolytes and help provide thorough physical understanding of the processes involved. Th...