DSpace Collection: http://pucir.inflibnet.ac.in:8080/jspui/handle/123456789/845 2026-04-29T11:23:34Z Introduction to band structure calculations using the LAPW method http://pucir.inflibnet.ac.in:8080/jspui/handle/123456789/854 Title: Introduction to band structure calculations using the LAPW method Authors: Gurung, Shivraj Abstract: This paper is a discussion on a brief introduction to the density functional theory (DFT). The for-malism and the approximations made for easy computation has been mentioned along with the two theorems of Hohenberg and Kohn on which the density functional theory is based. In the end, the Kohn-Sham equation which turned density functional theory into a practical tool to obtain the ground state density has been explained along with the LAPW method 2012-07-30T00:00:00Z FP-LAPW calculations of electronic band structure of NbC and NbN http://pucir.inflibnet.ac.in:8080/jspui/handle/123456789/852 Title: FP-LAPW calculations of electronic band structure of NbC and NbN Authors: Gurung, Shivraj Abstract: We have studied the equilibrium lattice constants and energy band structures of NbC and NbN using the full-potential linearized augmented-plane-wave (FP-LAPW) method within the framework of the density functional theory (DFT). The calculation has been performed by using the generalized gradient approximation (GGA) for the exchange and correlation potential. Computations have been performed using the WIEN2k codes. The result obtained is reasonable and compares well with the experimental data and other calculations 2012-06-02T00:00:00Z Photoemission study from Si and GaAs using a spatially varying vector potential http://pucir.inflibnet.ac.in:8080/jspui/handle/123456789/851 Title: Photoemission study from Si and GaAs using a spatially varying vector potential Authors: Gurung, Shivraj Abstract: Photoemission calculations in the case of semiconductors like gallium arsenide (GaAs) and silicon (Si) using a spatially dependent vector potential is presented here. The logarthmic dielectric model of Gurung and Thapa is used for the calculation of vector potential. The vector potential thus de-veloped is used for the calculation of photocurrent for which Kronig-Penney potential has been used to define the crystal potential from which the initial state wave-function for the surface state is derived. 2013-01-30T00:00:00Z Photofield Emission Calculations by Using Projection Operator Method http://pucir.inflibnet.ac.in:8080/jspui/handle/123456789/847 Title: Photofield Emission Calculations by Using Projection Operator Method Authors: Gurung, Shivraj 2007-09-01T00:00:00Z