Sökning: "Band structure calculation"

Visar resultat 1 - 5 av 19 avhandlingar innehållade orden Band structure calculation.

  1. 1. Computational infrared spectroscopy : Calculation of the amide I absorption of proteins

    Författare :Cesare Michele Baronio; Andreas Barth; Sander Woutersen; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; infrared spectroscopy; FTIR; simulation; calculation; amide I; transition dipole coupling; F matrix; protein; amyloid β; oligomers; β-helix; Biophysics; biofysik;

    Sammanfattning : Infrared spectroscopy is an important technique that allows to retrieve structural information from the analysis of absorption spectra. The main application of infrared spectroscopy within life science is the study of the amide I band, which is correlated with protein backbone conformation and, consequently, with the secondary structure of proteins. LÄS MER

  3. 2. Theory of van der Waals bonding: from bulk materials to biomolecules

    Författare :Elisa Londero; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; alkanes; extended systems; DNA; band structure; van der Waals Density Functional vdW-DF ; exchange functionals; Density Functional Theory; non-local correlation; layered oxides;

    Sammanfattning : Sparse matter is abundant in Nature.It encompasses systems characterized by an intrinsic low density of electrons in sizeable regions, where the van der Waals forces contribute considerably to cohesion.Given the length scale of the problem, a prediction of these materials requires appropriate tools within a quantum-mechanical framework. LÄS MER

  4. 3. Radio Frequency InGaAs MOSFETs

    Författare :Navya Sri Garigapati; NanoLund: Centre for Nanoscience; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; III-V compound semiconductor; InGaAs MOSFET; Quantum well; Nanowire; Radio Frequency; Band structure calculation; k.p calculations; Strain engineering; ballistic electron transport; S-parameters;

    Sammanfattning : III-V-based Indium gallium arsenide is a promising channel material for high-frequency applications due to its superior electron mobility property. In this thesis, InGaAs/InP heterostructure radio frequency MOSFETs are designed, fabricated, and characterized. LÄS MER

  5. 4. Lateral Superlattices in Commensurate Magnetic Fields: Electronic Structure, Transport and Optical Properties

    Författare :Egidijus Anisimovas; Matematisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; tunneling; Physics; collective excitations; optical absorption; quantum Hall effect; electronic structure; two-dimensional electron systems; lateral superlattices; Electromagnetism; Fysik; optics; acoustics; Elektromagnetism; optik; akustik; Fysicumarkivet A:2001:Anisimovas;

    Sammanfattning : The present thesis is devoted to the theoretical study of two-dimensional electron systems moving in a modulated lateral periodic potential and a competing perpendicular magnetic field. The three introductory chapters offer a brief exposition of the basic issues in this area -- the description of the electron motion in a prependicular magnetic field, the group of magnetic translations and the commensurability phenomena -- at an elementary level. LÄS MER

  7. 5. Physics of Strong Correlations in Electronic Structure and Model Calculations

    Författare :Urban Lundin; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Strongly correlated electrons; Electronic structure calculations; Fysik; Physics; Fysik; fysik; Physics;

    Sammanfattning : Using field theoretical methods models of strongly correlated electrons have been investigated. Application to electronic structure calculations has been made. LÄS MER