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Electronic Structure Of Diatomic Molecules In The Local Density Approximation., Sitangshu Dhar
Electronic Structure Of Diatomic Molecules In The Local Density Approximation., Sitangshu Dhar
LSU Historical Dissertations and Theses
Ab initio self consistent spin polarized calculations have been performed for the electronic structure of diatomic molecules LiH, CO, NO, B(,2), O(,2), and F(,2), and for the transition metal atoms Fe, Co, and Ni. The local spin density functional theory was used. The single particle Kohn Sham equations are solved with the use of a Gaussian orbital approach. All the one and two electron integrals are calculated exactly. The matrix elements of the exchange correlation potential are computed numerically, using a two dimensional doubling grid for the molecules, and a one dimensional grid for the atoms. The total energy and …
Surface Landau-Level Resonance In Silver., John William Mitchell
Surface Landau-Level Resonance In Silver., John William Mitchell
LSU Historical Dissertations and Theses
Local values of the Fermi velocity of Ag are determined along the central zones of the (100) and (110) sample planes and at the neck in the (111) plane. Resonance spectra of magentic field induced quantum surface states, known as surface Landau-level resonances (SLLR), are used along with geometric factors calculated from analytical expressions for the Fermi surface to determine the location and Fermi velocity of the resonant electrons by an iterative process. These velocities are compared to those previously derived from inversions of cyclotron mass data and to point measurements made in the time of flight effect. In addition, …
Magneto-Optical Investigations Of Surface Space-Charge Layers In Metal-Oxide - Semiconductor (Mos) Systems., Asif Khandker
Magneto-Optical Investigations Of Surface Space-Charge Layers In Metal-Oxide - Semiconductor (Mos) Systems., Asif Khandker
LSU Historical Dissertations and Theses
The effect of finite boundaries on the Faraday rotation and ellipticity due to the two dimensional electron gas (2DEG) formed in the inversion layer of a metal-oxide-semiconductor (MOS) system is considered. Although the 2D Drude model is mainly used, many body effects are also considered using the memory-function approach. The validity of using a 2D model for the inversion layer is justified by showing its equivalence to a three dimensional model which includes multiple reflections within the inversion layer. The free carriers in the metal gate are investigated by calculating the surface admittance of the gate. It is found that …