MECHANICAL PROPERTIES OF CAN, SRN, AND BAN COMPOUNDS BY DENSITY FUNCTIONAL THEORY

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SHARIFZADE HOMA SADAT; SHARIFZADEH SIMA SADAT; KANJOURI FARAMARZ; ESMAILIAN AMIRHOSEIN

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Journal Paper

Paper Information

Journal: JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL) Year:2013 | Volume:7 | Issue:7 Page(s): 1-5

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Information Journal Paper

Title

MECHANICAL PROPERTIES OF CAN, SRN, AND BAN COMPOUNDS BY DENSITY FUNCTIONAL THEORY

Author(s)

SHARIFZADE HOMA SADAT | SHARIFZADEH SIMA SADAT | KANJOURI FARAMARZ | ESMAILIAN AMIRHOSEIN | Issue Writer Certificate

Keywords

ELASTIC PROPERTIES

DENSITY FUNCTIONAL THEORY

FIRST PRINCIPLES CALCULATIONS

Abstract

Using DENSITY FUNCTIONAL THEORY, a systematic study of the ELASTIC PROPERTIES of CaN, SrN, and BaN compounds is performed. As a result, the optimized lattice parameters and independent elastic constants are calculated within the generalized gradient approximation. We have also derived bulk and shear moduli, Young's moduli, Poisson's ratio, and brittle/ductile behavior for CaN, SrN, and BaN. The estimated anisotropy parameter, A, shows that SrN has higher degree of elastic isotropy in comparison to CaN and BaN.

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References

A FAMILY OF DUCTILE INTERMETALLIC COMPOUNDS

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APA: Copy

SHARIFZADE, HOMA SADAT, SHARIFZADEH, SIMA SADAT, KANJOURI, FARAMARZ, & ESMAILIAN, AMIRHOSEIN. (2013). MECHANICAL PROPERTIES OF CAN, SRN, AND BAN COMPOUNDS BY DENSITY FUNCTIONAL THEORY. JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL), 7(7), 1-5. SID. https://sid.ir/paper/318707/en

Vancouver: Copy

SHARIFZADE HOMA SADAT, SHARIFZADEH SIMA SADAT, KANJOURI FARAMARZ, ESMAILIAN AMIRHOSEIN. MECHANICAL PROPERTIES OF CAN, SRN, AND BAN COMPOUNDS BY DENSITY FUNCTIONAL THEORY. JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL)[Internet]. 2013;7(7):1-5. Available from: https://sid.ir/paper/318707/en

IEEE: Copy

HOMA SADAT SHARIFZADE, SIMA SADAT SHARIFZADEH, FARAMARZ KANJOURI, and AMIRHOSEIN ESMAILIAN, “MECHANICAL PROPERTIES OF CAN, SRN, AND BAN COMPOUNDS BY DENSITY FUNCTIONAL THEORY,” JOURNAL OF THEORETICAL AND APPLIED PHYSICS (IRANIAN PHYSICAL JOURNAL), vol. 7, no. 7, pp. 1–5, 2013, [Online]. Available: https://sid.ir/paper/318707/en

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