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Condensed matter physics

Date Issued
2015
Author(s)
Ali Hussain Reshak
Universiti Malaysia Perlis
Handle (URI)
https://penerbit.unimap.edu.my/
https://hdl.handle.net/20.500.14170/1555
Abstract
This book will give the reader an idea about the utilization of the Density Functional Theory (DFT) for solving complex systems. The band structure problem is a many-body problem corresponding to the motion of the enormous number of electrons and of nuclear particles in the crystal. The study of crystals, their structures, and their properties has antecedents predating modern science. With the aid of Density Functional Theory (DFT), the many-electron problem can be reduced to a problem with one electron moving in an effective crystal potential. DFT is an extremely successful approach for the description of the ground state properties of metals, semiconductors, and insulators. The success of DFT not only encompasses standard bulk materials but also complex materials such as proteins and carbon nanotubes.
Subjects
  • Condensed matter

File(s)
Copyright statement.pdf (29.46 KB) Condensed matter physics.pdf (219.79 KB) Preview.pdf (24.98 KB) Table of Contents.pdf (839.66 KB) Chapter 1 : Electronic structure and the influence of replacing Ge by Si in the Chalcogenide Quaternary Sulfides Ag2In2Ge (Si) S6 single crystals: Experiment XPS and XRD and Theory.pdf (537.11 KB) Chapter 2 : Influence of replacing Si by Ge in the Chalcogenide Quaternary Sulfides Ag2ln2Si (Ge) S6 on the chemical bonding, linear, nonlinear optical susceptibilities and hyper polarizability.pdf (522.72 KB) Chapter 3 : Electronic and optical features of the mixed crystals Ag0.5Pb,,75Ge (S, _XSex)4.pdf (436.72 KB) Chapter 4 : Linear, non-linear optical susceptibilities and the hyper polarizability of the mixed crystals Ag0.5Pb1.75Ge (S1-xSex)4: Experiment and theory.pdf (479.44 KB) Chapter 5 : Optical spectra and band structure of AgxGaxGe1-xSe2 (x = 0.333, 0.250, 0.200, and 0.167) single crystals: Experiment and theory.pdf (418.05 KB) Chapter 6 : Dispersion of the linear and nonlinear optical susceptibilities of disilver germanium sulfide from OFT calculations.pdf (486.81 KB) Chapter 7 : First principle calculations of transition metal oxide, AgAI02, as active photo catalyst: Sustainable alternative sources of energy.pdf (444.54 KB) Chapter 8 : Structural, elastic, thermal, electronic and optical properties of Ag20 under pressure.pdf (445.85 KB) Chapter 9 : X-Ray photoelectron spectrum, X-Ray diffraction data and electronic structure of chalcogenide quaternary sulfide Ag2ln2GeS6: Experiment and theory.pdf (479.65 KB) Chapter 10 : Ab-initio study of TaON compound, active photo catalyst under visible light irradiation.pdf (457.7 KB)
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