Two novel silicon phases with direct band gaps
Author:
Affiliation:
1. Key Laboratory of Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices
2. School of Microelectronics
3. Xidian University
4. Xi'an 710071
5. P. R. China
6. School of Physics and Optoelectronic Engineering
Abstract
Based on density function theory with the ultrasoft pseudopotential scheme, we have systematically studied the structural stability, absorption spectra, electronic, optical and mechanical properties and minimum thermal conductivity of two novel silicon phases, Cm-32 silicon and P21/m silicon.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP00195E
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