A theoretical study of dielectric tensor, Born effective charges, LO-TO splitting and infrared response of Al4SiC4 and Al4Si2C5

Li, Y.F.; Xiao, Bing; Liang, Shi-Xiong; Gao, Yimin; Cheng, Yonghong

doi:10.1016/j.jallcom.2016.09.114

Cited by 10 publications

(22 citation statements)

References 31 publications

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“…The LO-TO splitting, for a given mode, is proportional to the mode oscillator strength and thus, it reflects the intensity of this specific mode. Our calculations reveal that the values corresponding to the largest LO-TO splittings (italic numbers in Table I) are lower than those predicted in the previous study [7] and above all, the IR mode with the maximum splitting is different in both studies: we obtain splitting values of 229. …”

Section: Theoretical Study Of the Phonon Dispersion In Al 4 Siccontrasting

confidence: 65%

“…However, some weak additional modes remain unidentified: two modes are visible in the four spectra at 357-360 and 935 cm by Li et al [7,8] is reported in Table I. An overall agreement is observed for the symmetry assignment of Raman modes in comparison with theoretical modes, including the mode at 210 cm -1 which is assigned to E 2 symmetry.…”

Section: Spectra Collected In the Parallel Z(xx)z And X(zz)x Polarizasupporting

confidence: 59%

“…The magnitude of the LO-TO splitting, ω ∆ −TO LO (cm -1 ), calculated for each polar mode, is reported in Table I for small k-points following the path Μ−Γ−Α as well as the corresponding values obtained with the previous theoretical study [7]. The LO-TO splitting, for a given mode, is proportional to the mode oscillator strength and thus, it reflects the intensity of this specific mode.…”

Section: Theoretical Study Of the Phonon Dispersion In Al 4 Sicmentioning

confidence: 89%

“…Among them, Al 4 SiC 4 is a low cost potential candidate for power electronics due to its highly desirable combination of unique physical properties such as high thermal conductivity and stability at high temperature [1][2][3][4] and promising semiconductor properties [5][6][7][8][9].…”

Section: Introductionmentioning

confidence: 99%

“…Among materials intended for power electronics and visible optoelectronics applications, a new family of semiconducting carbides with the general formula Al 4 C 3 (SiC) n has been recently proposed. For example, Al 4 SiC 4 could be a good candidate for power electronics because of its highly suitable combination of unique physical properties such as high thermal conductivity and stability at high temperature and promising semiconductor properties .…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Al₄SiC₄ vibrational properties: density functional theory calculations compared to Raman and infrared spectroscopy measurements

Pédesseau

Chaix‐Pluchery

Modreanu

et al. 2017

J Raman Spectroscopy

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Section: Theoretical Study Of the Phonon Dispersion In Al 4 Siccontrasting

confidence: 65%

Section: Spectra Collected In the Parallel Z(xx)z And X(zz)x Polarizasupporting

confidence: 59%

Section: Theoretical Study Of the Phonon Dispersion In Al 4 Sicmentioning

confidence: 89%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Al₄SiC₄ vibrational properties: density functional theory calculations compared to Raman and infrared spectroscopy measurements

Pédesseau

Chaix‐Pluchery

Modreanu

et al. 2017

J Raman Spectroscopy

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SiC/Al₄SiC₄-Based Heterostructure Transistors

Forster

Chaussende

Kálna

2020

ACS Appl. Electron. Mater.

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Wide band gap SiC/Al 4 SiC 4 heterostructure transistor with a gate length of 5 µm is designed using a ternary carbide of Al 4 SiC 4 and its performance simulated by Silvaco Atlas. The simulations use a mixture of parameters obtained from ensemble Monte Carlo simulations, DFT calculations, and experimental data. The 5 µm gate length transistor is then laterally scaled to 2 µm and 1 µm gate length devices. The 5 µm gate length SiC/Al 4 SiC 4 heterostructure transistor delivers a maximum drain current of 168 mA/mm, which increases to 244 mA/mm and 350 mA/mm for gate lengths of 2 µm and 1 µm, respectively. The device breakdown voltage is 59.0 V which reduces to 31.0 V and to 18.0 V in the scaled 2 µm and the 1 µm gate length transistors. The scaled down 1 µm gate length device switches faster thanks to a higher transconductance of 65.1 mS/mm compared to only 1.69 mS/mm by the 5 µm gate length device.Finally, a sub-threshold slope of the scaled devices is 197.3 mV/dec, 97.6 mV/dec, and 96.1 mV/dec for gate lengths of 5 µm, 2 µm, and 1 µm, respectively.

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Monte Carlo Simulations of Electron Transport Characteristics of Ternary Carbide Al₄SiC₄

Forster

Chaussende

Kálna

2018

ACS Appl. Energy Mater.

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Electron transport characteristics of a novel wide band gap ternary carbide, Al4SiC4, to be used for efficient power and optoelectronic applications, are predicted using ensemble Monte Carlo (MC) simulations. The MC simulations use a mixture of material parameters obtained from density functional theory (DFT) calculations and experiment, with a preference for the experimental data if they are known. The DFT calculations predict a band gap of 2.48 eV, while the experimental measurements give a band gap between 2.78 and 2.8 eV. We have found that the electron effective mass in the two lowest valleys (M and K) is highly anisotropic; in the K valley, m t * = 0.5678 m e and m l * = 0.6952 m e, and for the M valley, m t * = 0.9360 m e and m l * = 1.0569 m e. We simulate electron drift velocity and electron mobility as a function of applied electric field as well as electron mobility as a function of doping concentration in Al4SiC4. We predict a peak electron drift velocity of 1.35 × 107 cm s–1 at an electric field of 1400 kV cm–1 and a maximum electron mobility of 82.9 cm2 V–1 s–1. We have seen diffusion constants of 2.14 cm2 s–1 at a low electric field and 0.25 cm2 s–1 at a high electric field. Finally, we show that Al4SiC4 has a critical field of 1831 kV cm–1.

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A theoretical study of dielectric tensor, Born effective charges, LO-TO splitting and infrared response of Al4SiC4 and Al4Si2C5

Cited by 10 publications

References 31 publications

Al₄SiC₄ vibrational properties: density functional theory calculations compared to Raman and infrared spectroscopy measurements

Al₄SiC₄ vibrational properties: density functional theory calculations compared to Raman and infrared spectroscopy measurements

SiC/Al₄SiC₄-Based Heterostructure Transistors

Monte Carlo Simulations of Electron Transport Characteristics of Ternary Carbide Al₄SiC₄

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A theoretical study of dielectric tensor, Born effective charges, LO-TO splitting and infrared response of Al4SiC4 and Al4Si2C5

Cited by 10 publications

References 31 publications

Al4SiC4 vibrational properties: density functional theory calculations compared to Raman and infrared spectroscopy measurements

Al4SiC4 vibrational properties: density functional theory calculations compared to Raman and infrared spectroscopy measurements

SiC/Al4SiC4-Based Heterostructure Transistors

Monte Carlo Simulations of Electron Transport Characteristics of Ternary Carbide Al4SiC4

Contact Info

Product

Resources

About

Al₄SiC₄ vibrational properties: density functional theory calculations compared to Raman and infrared spectroscopy measurements

Al₄SiC₄ vibrational properties: density functional theory calculations compared to Raman and infrared spectroscopy measurements

SiC/Al₄SiC₄-Based Heterostructure Transistors

Monte Carlo Simulations of Electron Transport Characteristics of Ternary Carbide Al₄SiC₄