The investigation of electrical conductivity of lanthanum, calcium and aluminium nitrides

Lesunova, R. P.; Karenina, L.S.; Pal'guev, S.F.; Бурмакин, Е. И.

doi:10.1016/0167-2738(89)90190-2

Cited by 4 publications

(5 citation statements)

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“…However, the online version of record will be different from this version once it has been copyedited and typeset. to the experimental electrical-conductivity measurements by Lesunova et al, 36 shown in Figure 4.…”

Section: Please Cite This Article Asmentioning

confidence: 68%

“…To further confirm the origin of the conductivity, we compare our findings to experimental measurements of the electrical conductivity as a function of temperature measured by four-point probe measurements in literature. Lesunova et al 36 find an exponentially increasing electrical conductivity with increasing temperature, which is characteristic of thermal activation of dopants in semiconductors. The temperature trend is also in contrast with the typical behavior in metals, in which the conductivity decreases with temperature due to increased carrier scattering by phonons.…”

Section: Please Cite This Article As Doi:101063/50055515mentioning

confidence: 98%

“…We then turn to the origin of the electrical conduction in LaN that is observed in experiment. [35][36][37] Previous studies attributed the conduction to the semi-metallic character of LaN.…”

Section: Please Cite This Article As Doi:101063/50055515mentioning

confidence: 99%

“…Electrical conductivity of LaN as a function of temperature. The experimental data are taken from the measurements of Lesunova et al36 . The dashed line is a least-square fit to the conductivity data.…”

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confidence: 99%

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Semiconducting character of LaN: Magnitude of the bandgap and origin of the electrical conductivity

Deng

Kioupakis

2021

AIP Advances

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Lanthanum nitride (LaN) has attracted research interest in catalysis due to its ability to activate the triple bonds of N 2 molecules, enabling efficient and cost-effective synthesis of ammonia from N 2 gas. While exciting progress has been made to use LaN in functional applications, the electronic character of LaN (metallic, semi-metallic, or semiconducting) and magnitude of its band gap have so far not been conclusively determined. Here, we investigate the electronic properties of LaN with hybrid density functional theory calculations. In contrast to previous claims that LaN is semi-metallic, our calculations show that LaN is a direct-band-gap semiconductor with a band-gap value of 0.62 eV at the X point of the Brillouin zone. The dispersive character of the bands near the band edges leads to light electron and hole effective masses, making LaN promising for electronic and optoelectronic applications. Our calculations also reveal that nitrogen vacancies and substitutional oxygen atoms are two unintentional shallow donors with low formation energies that can explain the origin of the previously reported electrical conductivity. Our calculations clarify the semiconducting nature of LaN and reveal candidate unintentional point defects that are likely responsible for its measured electrical conductivity.Nitride compounds are a rich class of functional materials. The main-group III-nitrides are important semiconductors that find applications in electronics, optoelectronics, and photocatalysis.Recently, transition-metal and rare-earth nitrides have attracted attention due to their promise in, e.g., piezoelectric, 1 superconducting, 2 and catalysis applications. 3,4 In particular, Ye et al.discovered that lanthanum nitride (LaN) facilitates stable and highly efficient ammonia synthesis through the activation of N2 gas by nitrogen vacancies at the surface. LaN shows a catalytic

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Section: Please Cite This Article Asmentioning

confidence: 68%

Section: Please Cite This Article As Doi:101063/50055515mentioning

confidence: 98%

Section: Please Cite This Article As Doi:101063/50055515mentioning

confidence: 99%

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confidence: 99%

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Semiconducting character of LaN: Magnitude of the bandgap and origin of the electrical conductivity

Deng

Kioupakis

2021

AIP Advances

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“…As part of our studies concerned with the electrochemical properties of stoichiometric nitrides [2][3][4], this work focuses on the conductivity of AlN-Mg 3 N 2 solid solutions.…”

Section: Introductionmentioning

confidence: 99%