Idkhil, RodhwanSalemDS (2015) Study Electronic And Mechanical Properties Of Carbon, Silicon, And Silicon-Carbon In Diamond Structure Using Generalized Gradient Approximation (Gga) Density Functional Theory (Dft). Magister thesis, Universitas Brawijaya.
Abstract
NS perhitungan prinsip berdasarkan pada teori fungsional densitas (DFT) diadopsi perkiraan gradien umum (GGA). Itu telah mempelajari elektronik, sifat mekanis kisi konstan, energi kohesif, kepadatan negara, curah Modulus, kepadatan parsial, kepadatan keadaan elektronik dan struktur pita termasuk Struktur berlian C, SI, dan SIC. Penelitian ini bertujuan untuk menyelidiki Perilaku karbon atom dan silikon dalam struktur berlian menggunakan kepadatan (GGA) Teori Fungsional, Studi Struktur Negara Tanah Silikon-Karbon (SIC) dengan struktur berlian. Hasil perhitungan GGA jelas melalui Sifat Elektronik Karbon, Silikon dan Silikon-Karbon (SIC) berlian struktur itu menunjukkan bahwa mereka sesuai dengan nilai eksperimental yang ada Distribusi celah pita kristal dan kepadatan elektron. Dari hasil sifat mekanik kita bisa tahu bahwa mereka adalah bahan keras meskipun Kekerasan dan kekakuan silikon-karbon lebih rendah dari berlian, silikon adalah a tipe bagus di semikonduktor.
English Abstract
The principles calculations based on Density functional theory (DFT) is adopt of the generalized gradient approximation (GGA). It has studied electronic, mechanical properties lattice constant, cohesive Energy, density of state, bulk modulus, partial density, electronic state density and band structure including diamond structure of C, SI, and SIC. This study aimed to investigated of the behavior of atoms carbon and silicon in diamond structure using (GGA) density functional theory, study Ground state structure of silicon-carbon (SIC) with diamond structure. The result of GGA calculation is obviously through the electronic properties of carbon, silicon and silicon- carbon (SIC)diamond structure it shows that they correspond with the existing experimental values distribution of crystal band gap and electron density. From the results of mechanical properties we can know that they are hard materials though the hardness and stiffness of Silicon-Carbon is lower than diamond, Silicon is a good type in the semiconductor .
| Item Type: | Thesis (Magister) |
|---|---|
| Identification Number: | TES/553.82/IDK/s/2015/041502534 |
| Subjects: | 500 Natural sciences and mathematics > 553 Economic geology > 553.8 Gems |
| Divisions: | S2/S3 > Magister Fisika, Fakultas MIPA |
| Depositing User: | Sugiantoro |
| Date Deposited: | 02 Jul 2015 14:52 |
| Last Modified: | 02 Jul 2015 14:52 |
| URI: | http://repository.ub.ac.id/id/eprint/157639 |
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