Study of Electronic Properties of Calcium Chloride Using the First-Principles

Please use this identifier to cite or link to this item: https://repository.sustech.edu/handle/123456789/4227

Title:	Study of Electronic Properties of Calcium Chloride Using the First-Principles
Other Titles:	دراسة الخصائص الإلكترونية لكلوريد الكالسيوم بإستخدام المبادئ الأولية
Authors:	Hammad, Ibrahim Adam Ibrahim
Keywords:	Solid StatePhysics Calcium Chloride Electronic structure
Issue Date:	1-Jun-2013
Publisher:	Sudan University of Science and Technology
Citation:	Hammad,Ibrahim Adam Ibrahim .Study of Electronic Properties of Calcium Chloride Using the First-Principles/Ibrahim Adam Ibrahim Hammad;Ahmed Elhassan Elfak.-Khartoum:Sudan University of Science and Technology,College of Science,2013.-37p. : ill. ; 28cm.-Ms.c.
Abstract:	In this research we used the first-principles calculations to study the electronic structure of the face center cubic (FCC) calcium chloride (CaCl2); using psedopotintial approach (as implemented by the QANTUM ESPRESSO package). We found the charge density, density of states and energy band gap for the FCC CaCl2.
Description:	Thesis
URI:	http://hdl.handle.net/123456789/4227
Appears in Collections:	Masters Dissertations : Science

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