DFT+U Calculations of Transition Metal Doped AlN

• Authors: J. Kaczkowski , A. Jezierski
• Languages of publication: EN

Abstracts

EN

The electronic structure of transition metal (TM = V, Cr, Mn, Fe) doped aluminium nitride was presented. The calculations were made within the DFT and DFT+U approach and the supercell approximation. The effective interaction parameter Hubbard U for mentioned compounds was determined within linear response approach in contrast to the other type of calculations which treated this factor as an adjustable parameter.

Keywords

EN

71.20.-b; 71.20.Nr; 71.55.-i; 71.55.Eq; 71.55.Ak; 75.30.Hx; 75.50.Pp

Discipline

• 71.20.-b: Electron density of states and band structure of crystalline solids
• 71.55.Ak: Metals, semimetals, and alloys
• 71.55.Eq: III-V semiconductors
• 75.50.Pp: Magnetic semiconductors
• 75.30.Hx: Magnetic impurity interactions
• 71.20.Nr: Semiconductor compounds
• 71.55.-i: Impurity and defect levels

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2009
• Volume: 116
• Issue: 5
• Pages: 924-926

Dates

published

2009-11

Contributors

author

J. Kaczkowski

• Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 1760-179 Poznań, Poland

author

A. Jezierski

• Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 1760-179 Poznań, Poland

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Identifiers

DOI

10.12693/APhysPolA.116.924