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Anglický jazyk
Calculation of the Magnetic and Electronic Properties of YFe Compounds
Autor: Fatema Alzahraa Mohammud Nabieh
We present in this thesis a first-principles study on the magnetic properties, the electronic structure and the elastic properties (e.g. bulk modulus) at ambient and higher hydrostatic pressures of 3d metal- based compounds using the well... Viac o knihe
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O knihe
We present in this thesis a first-principles study on the magnetic properties, the electronic structure and the elastic properties (e.g. bulk modulus) at ambient and higher hydrostatic pressures of 3d metal- based compounds using the well known Full-Potential Local-Orbital minimum basis (FPLO) code. The systems under study are the ferromagnetic element Fe, paramagnetic element Y and the Y-Fe based compounds: YFe2 and the hypothetical YFe5 . The LSDA and GGA approximations, as implemented in FPLO-09 are used throughout the scalar relativistic calculation in this work. This thesis is composed of three chapters, an abstract and a conclusions section. The first one deals with a necessary introduction to the subject, the theoretical background and calculation method are outlined in chapter 2. We present our results in chapter 3 and discuss them in the light of available other first - principles calculations and experimental data.
- Vydavateľstvo: LAP LAMBERT Academic Publishing
- Rok vydania: 2012
- Formát: Paperback
- Rozmer: 220 x 150 mm
- Jazyk: Anglický jazyk
- ISBN: 9783848413706
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