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Title: Monte Carlo analysis of transient electron transport in wurtzite Zn{sub 1−x}Mg{sub x}O combined with first principles calculations

Abstract

Transient characteristics of wurtzite Zn{sub 1−x}Mg{sub x}O are investigated using a three-valley Ensemble Monte Carlo model verified by the agreement between the simulated low-field mobility and the experiment result reported. The electronic structures are obtained by first principles calculations with density functional theory. The results show that the peak electron drift velocities of Zn{sub 1−x}Mg{sub x}O (x = 11.1%, 16.7%, 19.4%, 25%) at 3000 kV/cm are 3.735 × 10{sup 7}, 2.133 × 10{sup 7}, 1.889 × 10{sup 7}, 1.295 × 10{sup 7} cm/s, respectively. With the increase of Mg concentration, a higher electric field is required for the onset of velocity overshoot. When the applied field exceeds 2000 kV/cm and 2500 kV/cm, a phenomena of velocity undershoot is observed in Zn{sub 0.889}Mg{sub 0.111}O and Zn{sub 0.833}Mg{sub 0.167}O respectively, while it is not observed for Zn{sub 0.806}Mg{sub 0.194}O and Zn{sub 0.75}Mg{sub 0.25}O even at 3000 kV/cm which is especially important for high frequency devices.

Authors:
 [1]; ;  [1];  [2]; ;  [3];  [4]
  1. State Key Laboratory of Integrated Service Networks, School of Telecommunications Engineering, Xidian University, Xi’an 710071 (China)
  2. Key Laboratory of the Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi’an 710071 (China)
  3. School of Physics and Optoelectronic Engineering, Xidian University, Xi’an 710071 (China)
  4. School of Information Science and Technology, Northwest University, Xi’an 710127 (China)
Publication Date:
OSTI Identifier:
22454436
Resource Type:
Journal Article
Journal Name:
AIP Advances
Additional Journal Information:
Journal Volume: 5; Journal Issue: 1; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 2158-3226
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 97 MATHEMATICAL METHODS AND COMPUTING; CONCENTRATION RATIO; DENSITY FUNCTIONAL METHOD; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; ELECTRONS; EQUIPMENT; MAGNESIUM OXIDES; MONTE CARLO METHOD; PEAKS; SIMULATION; TRANSIENTS; ZINC COMPLEXES

Citation Formats

Wang, Ping, School of Physics and Optoelectronic Engineering, Xidian University, Xi’an 710071, Hu, Linlin, Shan, Xuefei, Yang, Yintang, Song, Jiuxu, Guo, Lixin, and Zhang, Zhiyong. Monte Carlo analysis of transient electron transport in wurtzite Zn{sub 1−x}Mg{sub x}O combined with first principles calculations. United States: N. p., 2015. Web. doi:10.1063/1.4907047.
Wang, Ping, School of Physics and Optoelectronic Engineering, Xidian University, Xi’an 710071, Hu, Linlin, Shan, Xuefei, Yang, Yintang, Song, Jiuxu, Guo, Lixin, & Zhang, Zhiyong. Monte Carlo analysis of transient electron transport in wurtzite Zn{sub 1−x}Mg{sub x}O combined with first principles calculations. United States. https://doi.org/10.1063/1.4907047
Wang, Ping, School of Physics and Optoelectronic Engineering, Xidian University, Xi’an 710071, Hu, Linlin, Shan, Xuefei, Yang, Yintang, Song, Jiuxu, Guo, Lixin, and Zhang, Zhiyong. 2015. "Monte Carlo analysis of transient electron transport in wurtzite Zn{sub 1−x}Mg{sub x}O combined with first principles calculations". United States. https://doi.org/10.1063/1.4907047.
@article{osti_22454436,
title = {Monte Carlo analysis of transient electron transport in wurtzite Zn{sub 1−x}Mg{sub x}O combined with first principles calculations},
author = {Wang, Ping and School of Physics and Optoelectronic Engineering, Xidian University, Xi’an 710071 and Hu, Linlin and Shan, Xuefei and Yang, Yintang and Song, Jiuxu and Guo, Lixin and Zhang, Zhiyong},
abstractNote = {Transient characteristics of wurtzite Zn{sub 1−x}Mg{sub x}O are investigated using a three-valley Ensemble Monte Carlo model verified by the agreement between the simulated low-field mobility and the experiment result reported. The electronic structures are obtained by first principles calculations with density functional theory. The results show that the peak electron drift velocities of Zn{sub 1−x}Mg{sub x}O (x = 11.1%, 16.7%, 19.4%, 25%) at 3000 kV/cm are 3.735 × 10{sup 7}, 2.133 × 10{sup 7}, 1.889 × 10{sup 7}, 1.295 × 10{sup 7} cm/s, respectively. With the increase of Mg concentration, a higher electric field is required for the onset of velocity overshoot. When the applied field exceeds 2000 kV/cm and 2500 kV/cm, a phenomena of velocity undershoot is observed in Zn{sub 0.889}Mg{sub 0.111}O and Zn{sub 0.833}Mg{sub 0.167}O respectively, while it is not observed for Zn{sub 0.806}Mg{sub 0.194}O and Zn{sub 0.75}Mg{sub 0.25}O even at 3000 kV/cm which is especially important for high frequency devices.},
doi = {10.1063/1.4907047},
url = {https://www.osti.gov/biblio/22454436}, journal = {AIP Advances},
issn = {2158-3226},
number = 1,
volume = 5,
place = {United States},
year = {Thu Jan 15 00:00:00 EST 2015},
month = {Thu Jan 15 00:00:00 EST 2015}
}