OVERVIEW OF DENSITY FUNCTIONAL THEORY FOR SUPERCONDUCTORS[Sekilas Tentang Teori Fungsional Kerapatan Elektron pada Superkonduktor]

Andika Widya Pramono, Anton Suryantoro

Abstract

 


SEKILAS TENTANG TEORI FUNGSIONAL KERAPATAN ELEKTRON PADA SUPERKONDUKTOR. Teori fungsional kerapatan elektron atau density functional theory (DFT) digunakan
untuk menjelaskan interaksi elektron pada material superkonduktor. Makalah ini membahas aspek mendasar
untuk inisiasi penggunaan DFT, seperti aproksimasi kerapatan lokal atau local density approximation (LDA)
serta transformasinya menjadi sistem yang bergantung terhadap waktu atau time dependent system (TDDFT) dan
kondisi superkonduktif atau superconducting state (SCDFT). Teorema Hamiltonian dan Kohn-Sahm
dipergunakan untuk menghitung energi sistem yang berinteraksi maupun yang tidak berinteraksi. Persamaan
Schrödinger yang independen terhadap waktu diselesaikan untuk mengetahui posisi elektron terisi maupun tidak
terisi serta respon mereka terhadap pengaruh eksternal seperti medan optik. Pemodelan menghasilkan konstruksi
dari LDA superkonduktor.
Kata kunci : Teori fungsional kerapatan elektron, Aproksimasi kerapatan lokal, Sistem Hamiltonian, Teorema
Kohn-Sahm, Superkonduktor

 

Abstract

OVERVIEW OF DENSITY FUNCTIONAL THEORY FOR SUPERCONDUCTORS. The density functional
theory (DFT) has been utilized to describe the electron interaction in superconducting materials. This paper
discusses the fundamental aspects to begin with the DFT, including local density approximation (LDA) as well
as its necessary transformation into time dependent system (TDDFT) and superconducting state (SCDFT). The
Hamiltonian and Kohn-Sahm theorems along with Helmann-Feymann theorem are utilized to yield the energy of
interacting and non-interacting systems. The procedures begins with the utilization of time-independent
Schrödinger equation which is solved for occupied and unoccupied states. The equation is also computed
against linear and non-linear responses of the material system to the external forces such as optical field. The
results indicate construction of an LDA for superconductors.
Keywords : Density

Keywords

Teori fungsional kerapatan elektron; Aproksimasi kerapatan lokal; Sistem Hamiltonian;Density functional theory; Local density approximation; Hamiltonian system; Kohn-Sahm

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DOI: http://dx.doi.org/10.14203/metalurgi.v27i2.141
Copyright (c) 2016 Metalurgi

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