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We present some theoretical results on the lattice vibrations that are necessary for a concise derivation of the Debye-Waller factor in the harmonic approximation. First we obtain an expression for displacement of an atom in a crystal lattice from its equilibrium position. Then we show that an atomic displacement has the Gaussian distribution. Finally, we obtain the computational formula for the Debye-Waller factor in the Debye model.
The energy-spectrum of two point-like particles interacting in a 3-D isotropic Harmonic Oscillator (H.O.) trap is related to the free scattering phase-shifts $delta$ of the particles by a formula first published by Busch et al. It is here used to fin
Transmission electron microscopes use electrons with wavelengths of a few picometers, potentially capable of imaging individual atoms in solids at a resolution ultimately set by the intrinsic size of an atom. Unfortunately, due to imperfections in th
The renormalization of electronic eigenenergies due to electron-phonon interactions (temperature dependence and zero-point motion effect) is important in many materials. We address it in the adiabatic harmonic approximation, based on first principles
The quasiparticle band structures of nonmagnetic monoxides, MO (M=Mg, Ca, Ti, and V), are calculated by the GW approximation. The band gap and the width of occupied oxygen 2p states in insulating MgO and CaO agree with experimental observation. In me
We present a study of the lattice response to the compressive and tensile biaxial stress in La0.67Sr0.33MnO3 (LSMO) and SrRuO3 (SRO) thin films grown on a variety of single crystal substrates: SrTiO3, DyScO3, NdGaO3 and (La,Sr)(Al,Ta)O3. The results