Effects of substitutions of C atoms by Al and N in the w-AlN compound

Murillo, Jesse; Ortega, César; Espitia, M J

doi:10.1088/1742-6596/687/1/012114

Cited by 3 publications

(1 citation statement)

References 22 publications

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“…Aluminium nitride (AlN) is one of the compounds of group-III nitrides characterized by a wide band gap, low dielectric constant, high thermal conductivity, and large bulk modulus [1][2][3][4]. Due to these properties, currently there has been more interest in AlN, owing to its wide application in optoelectronics areas such as optical detectors, semiconductor lasers, and short-wavelength light-emitting diodes, as well as in high-temperature, high-power, and high-frequency devices [5][6][7][8].…”

Section: Introductionmentioning

confidence: 99%

A theoretical calculation of the electronic and magnetic behaviour of C-doped zincblende AlN

López

2017

J. Phys.: Conf. Ser.

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Abstract. Based on structural spin-polarized density functional theory, the electronic and magnetic properties of carbon-doped zincblende AlN were investigated. The calculations were carried out by means of the pseudopotential method employed exactly as implemented in Quantum Espresso code. For 0.625% C-doped AlN, we found a ferromagnetic and halfmetallic behaviour. Per supercell, the AlC0.0625N0.9375 has a net magnetic moment of 1.0µβ. The main contribution to the magnetic moment comes from the 2p-C orbitals, with a lesser contribution of the 2p-N and 2p-Al orbitals. Our results suggest that C-doped AlN has potential applications in semiconductor spintronic devices.

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