Sökning: "Sergey Simak"

Visar resultat 1 - 5 av 7 avhandlingar innehållade orden Sergey Simak.

  1. 1. First principles study of oxide semiconductors for solar energy applications

    Författare :Maofeng Dou; Clas Persson; Huda Muhammad N.; Sergey Simak; Anna Delin; Peter Johansson; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; photocatalysis; water splitting; oxynitrides; dielectric function; first-principles calculation; density functional theory; electronic structures; Casimir interaction; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : The objectives of this thesis are to understand the electronic structures of oxides and oxynitrides for photocatalytic water splitting, examine the Casimir interaction between oxides, and explore possible approach to bridge the Casimir force and material properties for advanced material research. The studies were performed in the framework of the density functional theory, many-body perturbation theory, i. LÄS MER

  3. 2. Theoretical Descriptions of Complex Magnetism in Transition Metals and Their Alloys

    Författare :Marcus Ekholm; Igor Abrikosov; Sergey Simak; Leonid Pourovskii; John M. Wills; Linköpings universitet; []
    Nyckelord :;

    Sammanfattning : In this thesis, various methods for studying solids by simulations of quantummechanical equations, have been applied to transition metals and their alloys. Transition metals such as Fe, Ni, and Mn, are not only cornerstones in modern technology, but also key components in the very fabric of the Earth interior. LÄS MER

  4. 3. Thermal properties of materials from first principles

    Författare :Olle Hellman; Sergey Simak; Igor Abrikosov; Risto Nieminen; Linköpings universitet; []
    Nyckelord :;

    Sammanfattning : 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. LÄS MER

  5. 4. Computational modeling of magnetic materials and alloys

    Författare :Gustav Johansson; Andreas Larsson; Corina Etz; Sergey Simak; Luleå tekniska universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Applied Physics; Tillämpad fysik;

    Sammanfattning : Magnetic materials play an important part in modern technology, appearing practically everywhere. Nonetheless, there is a need to discover new magnetic materials that can make devices faster, use less energy, and store more data. For this reason, computational modeling is an important tool. LÄS MER

  7. 5. Development and applications of theoretical algorithms for simulations of materials at extreme conditions

    Författare :Igor Mosyagin; Igor Abrikosov; Sergey Simak; Andrei Postnikov; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Materials at extreme conditions exhibit properties that differ substantially from ambient conditions. High pressure and high temperature expose anharmonic, non-linear behavior, and can provoke phase transitions among other effects. Experimental setups to study that sort of effects are typically costly and experiments themselves are laborious. LÄS MER