Study the thermal properties of (GaAs) semiconductor laser by using Quantum Mechanics Semiempirical method

Auda Naif, Hanan

	Study the thermal properties of (GaAs) semiconductor laser by using Quantum Mechanics Semiempirical method
Journal of College of Education
Article 1, Volume 0, Issue 5, 2017, Pages 284-300
Author
Hanan Auda Naif
Abstract
The study in this search of thermal properties for Gallium Arsenide (GaAs) by using semi-empirical programs and method MNDO/PM3. The research plan depended on two parts, the first part represented by determine the equilibrium geometry form for molecular by using PC model program with internal coordinate (r,0o,g) and get the initial matrix where contain on (atoms, distance between atoms by angstrom unit (r/A), angle (0) and dehidral (g). The second part is represented by use this matrix from part 1, and use it in WinmopacT.2l progmm to determine the minimum total energy at equilibrium structure for molecules, this studies and calculations yielded the equilibrium geometries distance, energetic value, for (GaAs) total energy was (-183.986eV) at equilibrium distance for above molecules were (1.7A). Through unharmonic potential energy curve we founded the spectroscopic dissociation energy for GaAs (4.751eV). Also; the moment of inertia which was for the molecular GaAs have equal two primitive values: IA=0.000000, Is=0.1 5246 I cmr, Ic=O. I 5246 I cm- I The thermodynamic properties for molecular such as heat of formation, enthalpy, entropy, heat capacity in addition the free Gibbes energy were calculate at room temperature (298K). The heat of formation for (GaAs) is (44.686 Kcal/mol) enthalpy (2203.3835ca1/mol), heat capacity (8.1567 callmol.K), entropy (2.3025 call mol. K) and Gibbs energy (- I 63 62.7 62callmol).

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