Structural stability, electronic and optical properties of Ni-doped 3C–SiC by first principles calculation

Dou, Yajie; Jin, Haibo; Cao, Mao‐Sheng; Fang, Xiao‐Yong; Hou, Zhi‐Ling; Li, Dan; Agathopoulos, Simeon

doi:10.1016/j.jallcom.2011.03.058

Cited by 46 publications

(12 citation statements)

References 39 publications

(41 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The dominant features of 3C SiC are peaks at 6.52 eV and 7.93 eV. This feature is similar to the ab initio derivations by Dou et al 9 who observed two peaks at 7.23 eV and 8.80 eV after applying a scissor correction. Experimental values also show 20 a broad curve with significant values for e 2 starting at 4 eV and with peaks at around 7.5 eV and 9.1 eV.…”

Section: Optical Propertiessupporting

confidence: 87%

Theoretical Derivations of a Direct Band Gap Semiconductor of SiC Doped with Ge

Ghosh

Varadachari

2014

Journal of Elec Materi

View full text Add to dashboard Cite

Section: Optical Propertiessupporting

confidence: 87%

Theoretical Derivations of a Direct Band Gap Semiconductor of SiC Doped with Ge

Ghosh

Varadachari

2014

Journal of Elec Materi

View full text Add to dashboard Cite

“…[1] According to the literature, there are few detailed theoretical and experimental investigations of the electronic and optical properties of Nidoped 3C-SiC. Our calculations, reported earlier, [27] have proved that doping of 3.125 mol% Ni content can improve the electronic and optical properties of 3C-SiC. In this Letter, the effect of different doping concentration of Ni on the electronic properties of 3C-SiC has been further investigated.…”

supporting

confidence: 62%

First Principle Study of the Electronic Properties of 3C-SiC Doped with Different Amounts of Ni

Dou¹,

Qi²,

Jin³

et al. 2012

Chinese Phys. Lett.

Self Cite

View full text Add to dashboard Cite

The electronic properties of 3C-SiC doped with different contents of Ni are investigated by using first-principles calculations. It is observed that the non-filled impurity energy levels in the band-gap region increase with increasing Ni content, which subsequently results in an enhancement of electrical conductivity of 3C-SiC. This enhancement in conductivity is verified by the conductivity spectrum in which new peaks appear in the middleinfrared region, visible region, and middle-ultraviolet region. It is further observed that the width and intensity of these newly appeared peaks increase with the increase of Ni content. The electronic density of states exhibits the peaks crossing the Fermi level, which favors the electronic transitions and proves Ni-doped 3C-SiC to be a half-metallic semiconductor. Through the analysis of electron density difference and Mulliken overlap population, it is found that the covalent bonds are formed between Ni and near-by C atoms. These features confirm that the Ni-doped 3C-SiC semiconductor is a promising material for device applications in modern day electronics.

show abstract

“…Silicon carbide absorbing materials were become widely studied high temperature absorbing materials due to their good wear resistance, good thermal stability and high temperature resistance. Due to the poor absorption performance of pure SiC in the GHz band, researchers often use doping modification to improve the absorption performance [12]. High temperature oxidation absorption materials were verified and applied by researchers.…”

Section: Introductionmentioning

confidence: 99%

“…Yang et al designed and optimized the absorption performance of the metamaterial absorber using TiO 2 /Al 2 O 3 mixed ceramics and periodic metal discs [23]. Obviously, the ceramic-based metamaterial absorber with a working frequency band in the GHz range had attracted the attention of researchers [10,12,[21][22][23]. However, these reported GHz-range ceramic-based metamaterial absorbers shown the following defects : the larger structure size was not conducive to microelectronic integration, the larger energy consumption, the bandwidth of the absorption band was limited by the resonance mode, and the electromagnetic wave penetration performance was low, etc In addition, these ceramic-based metamaterial absorbers were still temperature-dependent, with bandwidth limited by resonance modes.…”

Section: Introductionmentioning

confidence: 99%

Design and verification of a high bandwidth metamaterial based on daily ceramics and its thermal conductivity

Lin²

2023

Mater. Res. Express

View full text Add to dashboard Cite

High temperature resistant metamaterial absorbers with large bandwidth and high performance are a promising research field. At present, many reported absorbing materials have the defects of single absorption mechanism and temperature sensitivity, and the main properties of many metamaterial absorbers are not high temperature resistance. In order to expand the performance of high-temperature metamaterials, a metamaterial absorber based on daily ceramics is proposed and verified in this paper. The principle of the absorption band is based on the LSP mode resonance between disk arrays, the SPP mode resonance on the surface of disk arrays, and the dielectric loss of the ceramic substrate itself. The effects of structural parameters, temperature, preparation process and type of ceramic substrate on the absorption properties of the metamaterial were measured. The measurement results show that the metamaterial absorber has obvious temperature stability. The absorption band of the metamaterial can be strengthened by increasing the thickness of the ceramic substrate and the diameter of the disk array. The average value of absorption band is less affected by the preparation technology of daily ceramic substrate. The mean absorption bands obtained based on the four preparation technologies (Chemical vapor deposition, Microwave induced synthesis, Sol-gel method, Carbothermal reduction method) are: 0.861, 0.882,0.857, and 0.842, respectively. The average value of absorption band based on four kinds of daily ceramics (SiC, ZrSiO4, TmFeO3, and ZrSnTiO) are: 0.861, 0.776, 0.908, and 0.857, respectively. In addition, the thermal conductivity and thermal resistance of daily ceramics are important parameters to measure the thermal resonance performance of the ceramic-based metamaterial absorber. The results confirm the effect of ceramic on the thermal conductivities (thermal response current, thermal resistance and thermal conductivity). Therefore, the proposed daily ceramic-based metamaterial absorber has the following advantages: absorption is temperature-independent, and the high temperature metamaterial is capable of excellent heat conductivity.

show abstract

Structural stability, electronic and optical properties of Ni-doped 3C–SiC by first principles calculation

Cited by 46 publications

References 39 publications

Theoretical Derivations of a Direct Band Gap Semiconductor of SiC Doped with Ge

Theoretical Derivations of a Direct Band Gap Semiconductor of SiC Doped with Ge

First Principle Study of the Electronic Properties of 3C-SiC Doped with Different Amounts of Ni

Design and verification of a high bandwidth metamaterial based on daily ceramics and its thermal conductivity

Contact Info

Product

Resources

About