CALCULATION OF ELECTRONIC STRUCTURE OF MGB2 SUPERCONDUCTOR WITH DIFFERENT APPROXIMATIONS

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SALEHI HAMDOLLAH; AHMADI ALI

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Seminar Paper

Paper Information

Seminar: IRAN PHYSICS CONFERENCE
Year:2005 | Issue:0

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Title

CALCULATION OF ELECTRONIC STRUCTURE OF MGB2 SUPERCONDUCTOR WITH DIFFERENT APPROXIMATIONS

Author(s)

SALEHI HAMDOLLAH | AHMADI ALI

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Abstract

IN THIS PAPER THE ELECTRONIC STRUCTURE OF MGB2 SUPERCONDUCTOR HAS BEEN STUDIED. THE CALCULATIONS HAVE BEEN PERFORMED USING A FULL POTENTIAL-LINEARIZED AUGMENTED PLANE WAVE (FP-LAPW) METHOD IN THE FRAMEWORK OF DENSITY FUNCTIONAL THEORY (DFT) WITH THE GENERALIZED GRADIENT APPROXIMATION (GGA) BY WIEN2K PACKAGE. THE COMPOUND, LATTICE CONSTANT, BULK MODULE AND COMPRESSIBILITY IN DIFFERENT DIRECTIONS HAVE BEEN CALCULATED. THE RESULTS EXPRESS THIS FACT THAT THE CALCULATION USING BY GGA HAS BETTER AGREEMENTS WITH THE OTHER THEORETICAL AND EXPERIMENTAL APPROXIMATIONS. ALSO, THE AMOUNT OF THE LINEAR COMPRESSIBILITY IN C DIRECTION IS TWICE OF THAT IN THE DIRECTION.

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APA: Copy

SALEHI, HAMDOLLAH, & AHMADI, ALI. (2005). CALCULATION OF ELECTRONIC STRUCTURE OF MGB₂ SUPERCONDUCTOR WITH DIFFERENT APPROXIMATIONS. IRAN PHYSICS CONFERENCE. SID. https://sid.ir/paper/906733/en

Vancouver: Copy

SALEHI HAMDOLLAH, AHMADI ALI. CALCULATION OF ELECTRONIC STRUCTURE OF MGB₂ SUPERCONDUCTOR WITH DIFFERENT APPROXIMATIONS. 2005. Available from: https://sid.ir/paper/906733/en

IEEE: Copy

HAMDOLLAH SALEHI, and ALI AHMADI, “CALCULATION OF ELECTRONIC STRUCTURE OF MGB₂ SUPERCONDUCTOR WITH DIFFERENT APPROXIMATIONS,” presented at the IRAN PHYSICS CONFERENCE. 2005, [Online]. Available: https://sid.ir/paper/906733/en

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