Electronic Structure of Ternary Antimonides GdNiSb

• Authors: X. Wei , X. Hu , Y. Dai , T. Lei , S. Chu , J. Deng
• Languages of publication: EN

Abstracts

EN

In the paper density functional theory method was applied to explore the electronic and magnetic properties of the GdNiSb in low-temperature phase with cubic MgAsAg-type structure and in the high-temperature phase. The calculations were performed by first principles full-relativistic full potential local orbital method within the local spin density approximation. The calculations results show the metallic character of GdNiSb compound in the high-temperature phase with hexagonal AlB_2-type structure. For the low-temperature phase of the cubic GdNiSb system, they indicate a semiconducting behavior. The density of states below the Fermi level is greater in high-temperature phase than in low-temperature one, the calculated magnetic moment is in good agreement with an available experimental value.

Keywords

EN

71.20.-b; 71.15.Ap; 71.15.Mb; 71.20.Eh; 71.20.Lp

Discipline

• 71.20.-b: Electron density of states and band structure of crystalline solids
• 71.15.Ap: Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)
• 71.20.Lp: Intermetallic compounds
• 71.20.Eh: Rare earth metals and alloys
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2011
• Volume: 119
• Issue: 3
• Pages: 405-407

Dates

published

2011-03

received

2010-03-29

(unknown)

2010-09-26

(unknown)

2010-10-09

Contributors

author

X. Wei

• Department of Physics, Lanzhou University, Lanzhou 730000, People's Republic of China

author

X. Hu

• Department of Physics, Lanzhou University, Lanzhou 730000, People's Republic of China

author

Y. Dai

• Department of Physics, Lanzhou University, Lanzhou 730000, People's Republic of China

author

T. Lei

• Department of Physics, Lanzhou University, Lanzhou 730000, People's Republic of China

author

S. Chu

• Department of Physics, Lanzhou University, Lanzhou 730000, People's Republic of China

author

J. Deng

• Department of Physics, Lanzhou University, Lanzhou 730000, People's Republic of China

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Identifiers

DOI

10.12693/APhysPolA.119.405