Search for dissertations about: "AUGMENTED-WAVE METHOD"

Found 2 swedish dissertations containing the words AUGMENTED-WAVE METHOD.

  2. 1. Development and application of Muffin-Tin Orbital based Green’s function techniques to systems with magnetic and chemical disorder

    Author : Andreas Kissavos; Igor Abrikosov; Hubert Ebert; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Mathematical physics; Theoretical Physics; Muffin-Tin Orbital method; Calculations; Magnetism; Lloyd’s formula; Mathematical physics; Matematisk fysik;

    Abstract : Accurate electronic structure calculations are becoming more and more important because of the increasing need for information about systems which are hard to perform experiments on. Databases compiled from theoretical results are also being used more than ever for applications, and the reliability of the theoretical methods are of utmost importance. READ MORE

  4. 2. First-Principles Study on Electronic and Optical Properties of Copper-Based Chalcogenide Photovoltaic Materials

    Author : Rongzhen Chen; Clas Persson; Maria G. Ganchenkova; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; density functional theory; electronic structure; dielectric function; absorption coefficient; copper-based chalcogenides; ultra-thin film; Teknisk materialvetenskap; Materials Science and Engineering;

    Abstract : To accelerate environmentally friendly thin film photovoltaic (PV) technologies, copper-based chalcogenides are attractive as absorber materials. Chalcopyrite copper indium gallium selenide (CIGS ≡ CuIn1–xGaxSe2) is today a commercially important PV material, and it is also in many aspects a very interesting material from a scientific point of view. READ MORE