中国物理B ›› 2019, Vol. 28 ›› Issue (10): 107306-107306.doi: 10.1088/1674-1056/ab41ea
• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇 下一篇
Cheng Tang(唐程), Gurpreet Kour, Aijun Du(杜爱军)
收稿日期:
2019-08-09
修回日期:
2019-09-04
出版日期:
2019-10-05
发布日期:
2019-10-05
通讯作者:
Aijun Du
E-mail:aijun.du@qut.edu.au
Cheng Tang(唐程), Gurpreet Kour, Aijun Du(杜爱军)
Received:
2019-08-09
Revised:
2019-09-04
Online:
2019-10-05
Published:
2019-10-05
Contact:
Aijun Du
E-mail:aijun.du@qut.edu.au
摘要: In recent years, structure design and predictions based on global optimization approach as implemented in CALYPSO software have gained great success in accelerating the discovery of novel two-dimensional (2D) materials. Here we highlight some most recent research progress on the prediction of novel 2D structures, involving elements, metal-free and metal-containing compounds using CALYPSO package. Particular emphasis will be given to those 2D materials that exhibit unique electronic and magnetic properties with great potentials for applications in novel electronics, optoelectronics, magnetronics, spintronics, and photovoltaics. Finally, we also comment on the challenges and perspectives for future discovery of multi-functional 2D materials.
中图分类号: (Surface states, band structure, electron density of states)
唐程, Gurpreet Kour, 杜爱军. Recent progress on the prediction of two-dimensional materials using CALYPSO[J]. 中国物理B, 2019, 28(10): 107306-107306.
Cheng Tang(唐程), Gurpreet Kour, Aijun Du(杜爱军). Recent progress on the prediction of two-dimensional materials using CALYPSO[J]. Chin. Phys. B, 2019, 28(10): 107306-107306.
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