First-Principle Studies of Phonons III-N Compound Semiconductors in Wurtzite Structure

Zhang, J. J.; Zhao, Guang; Liang, Xi

doi:10.7763/ijapm.2013.v3.210

Cited by 4 publications

(3 citation statements)

References 23 publications

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“…The band gap is related to the mass mismatches of constituent atoms. It has been shown that the band gap increases with increasing the cation/anion mass ratio in binary wurtzite nitrides 28 . The partial DOS of CoSb 3 is also shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

Thermal conductivity of skutterudite CoSb3 from first principles: Substitution and nanoengineering effects

Guo

Wang

Huang

2015

Sci Rep

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CoSb3-based skutterudites are promising intermediate-temperature thermoelectric materials and fundamental understanding of the thermal transport in CoSb3 is crucial for further improving its performance. We herein calculate the lattice thermal conductivity κL of CoSb3 with first-principles methods and conduct a comprehensive analysis on phonon mode contribution, relaxation time and mean free path (MFP) distributions. The contribution of optical phonons is found to be significant (28% at 300 K) and important optical modes usually involve two or more pnicogen atoms moving synchronously. The MFP (~135 nm at 300 K) corresponding to 50% κL accumulation in CoSb3 is much larger than that predicted from the kinetic theory (~4 nm), providing an opportunity to reduce κL by nanoengineering. The effects of elemental substitution and nanoengineering on κL are therefore investigated. A 10% substitution of Sb by As results in 57% reduction of κL while the in-plane (cross-plane) κL of a 50-nm CoSb3 thin film is only 56% (33%) of the bulk κL at 300 K. The impurity scattering and boundary scattering mainly suppress phonons in different frequency regimes. By combining these two effects, κL can be reduced by more than 70% at 300 K, potentially leading to much improved ZT near room temperature.

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Section: Resultsmentioning

confidence: 99%

Thermal conductivity of skutterudite CoSb3 from first principles: Substitution and nanoengineering effects

Guo

Wang

Huang

2015

Sci Rep

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“…The spectra of the films as deposited at room temperature, Figure 3(a) exhibits a prominent peak at 470 cm -1 ; while the film as deposited at 200 °C, Figure 3(b) shows a broad peak at 479 cm -1 , which correspond to the transverse-optical (TO) reststrahlen band features of wurtzite structure InN crystal. The obtained E 1 (TO) values are slightly shifted from the reported values 476 cm -1 [19]. The peak shifting as illustrated in Figure 3(a) might probably due to the occurrence of residual stress distortion in crystal unit cell [20].…”

Section: Resultsmentioning

confidence: 64%

Radio-Frequency Sputtering Growth of Indium Nitride Thin Film on Flexible Substrate

Lee

Osman

Fong

et al. 2016

MSF

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The study signifies the radio-frequency (RF) sputtering growth and characterizations of indium nitride (InN) thin films deposited on flexible substrates. A three-inch diameter indium (In) sputtering target with purity of 99.999% was used. The deposition was carried out at room temperature and with substrate temperature of 200 °C. The surface morphologies, structural and optical properties of the deposited thin films were examined by using field-emission scanning electron microscopy, energy dispersive spectroscopy, X-ray diffraction as well as Fourier transform infrared spectroscopy. All the results revealed that InN thin films have been successfully deposited on the flexible substrates in the gas mixture ambient of argon and nitrogen.

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“…These obtained values were found to be shifted from the reported values of 476 cm -1 towards lower frequencies. The shifting is probably induced by the residual stress distortion in crystal unit cell [21]. The common strong band located at 521 cm -1 is attributed to the Si(111) substrate, while the two dominant bands correspond to E 2 (high) and A 1 (LO) modes of the wurtzite structure InN can be observed at 487 and 570 cm -1 , respectively.…”

Section: Resultsmentioning

confidence: 97%

Growth Temperature Dependence of Sol-Gel Spin Coated Indium Nitride Thin Films

Lee

Yam

et al. 2019

SSP

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The study highlights the effects of growth temperatures ranging from 500 to 650 °C on the properties of indium nitride (InN) thin films prepared by sol-gel spin coating method followed by nitridation, also, the growth mechanism was studied in depth. The findings revealed that the InN crystal growth was promoted at the growth temperature of 600 °C, by which the crystalline quality of the deposited thin films was improved and the densely packed InN grains were formed. However, thermal decomposition of InN was observed at increasing temperature to 650 °C. Apart from that, the infrared (IR) reflectance measurement shows the presence of transverse and longitudinal-optical phonon modes of wurtzite structure InN. These vibrational modes were found to be slightly shifted from the theoretical values as a result of the incorporation of oxygen contamination in the deposited thin films.

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First-Principle Studies of Phonons III-N Compound Semiconductors in Wurtzite Structure

Cited by 4 publications

References 23 publications

Thermal conductivity of skutterudite CoSb3 from first principles: Substitution and nanoengineering effects

Thermal conductivity of skutterudite CoSb3 from first principles: Substitution and nanoengineering effects

Radio-Frequency Sputtering Growth of Indium Nitride Thin Film on Flexible Substrate

Growth Temperature Dependence of Sol-Gel Spin Coated Indium Nitride Thin Films

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