ELECTRONIC PROPERTIES OF TITANIUM USING DENSITY FUNCTIONAL THEORY

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JAFARI M.; JAMNEZHAD H.; NAZARZADEH L.

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

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Journal: Iranian Journal of Science Year:2012 | Volume:36 | Issue:A4 Page(s): 511-515

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Title

ELECTRONIC PROPERTIES OF TITANIUM USING DENSITY FUNCTIONAL THEORY

Author(s)

JAFARI M. | JAMNEZHAD H. | NAZARZADEH L. | Issue Writer Certificate

Keywords

ELECTRONIC CONDUCTIVITY

TITANIUM

DFT CALCULATION

Abstract

In the present work, the electronic properties of TITANIUM were studied in three phases of a, b and w using the Density Function Theory (DFT). The full potential augmented plane wave plus local orbital (FLAPW+lo) method was applied using the generalized gradient approximation. The calculated total energies showed that omega phase was more stable than the two other phases. The largest electrical conductance was related to the b phase. These results were in good agreement with the findings of the previous works. In addition, these results showed that an increase in volume would lead to a decrease in energy; thus, causing an increase in the electrical conduction.

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APA: Copy

JAFARI, M., JAMNEZHAD, H., & NAZARZADEH, L.. (2012). ELECTRONIC PROPERTIES OF TITANIUM USING DENSITY FUNCTIONAL THEORY. IRANIAN JOURNAL OF SCIENCE AND TECHNOLOGY TRANSACTION A- SCIENCE, 36(A4), 511-515. SID. https://sid.ir/paper/670487/en

Vancouver: Copy

JAFARI M., JAMNEZHAD H., NAZARZADEH L.. ELECTRONIC PROPERTIES OF TITANIUM USING DENSITY FUNCTIONAL THEORY. IRANIAN JOURNAL OF SCIENCE AND TECHNOLOGY TRANSACTION A- SCIENCE[Internet]. 2012;36(A4):511-515. Available from: https://sid.ir/paper/670487/en

IEEE: Copy

M. JAFARI, H. JAMNEZHAD, and L. NAZARZADEH, “ELECTRONIC PROPERTIES OF TITANIUM USING DENSITY FUNCTIONAL THEORY,” IRANIAN JOURNAL OF SCIENCE AND TECHNOLOGY TRANSACTION A- SCIENCE, vol. 36, no. A4, pp. 511–515, 2012, [Online]. Available: https://sid.ir/paper/670487/en

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