PMID- 29855000
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180613
LR  - 20180613
IS  - 1463-9084 (Electronic)
IS  - 1463-9076 (Linking)
VI  - 20
IP  - 23
DP  - 2018 Jun 13
TI  - Germanene on single-layer ZnSe substrate: novel electronic and optical 
      properties.
PG  - 16067-16076
LID - 10.1039/c8cp00870a [doi]
AB  - In this work, the structural, electronic and optical properties of germanene and 
      ZnSe substrate nanocomposites have been investigated using first-principles 
      calculations. We found that the large direct-gap ZnSe semiconductors and zero-gap 
      germanene form a typical orbital hybridization heterostructure with a strong 
      binding energy, which shows a moderate direct band gap of 0.503 eV in the most 
      stable pattern. Furthermore, the heterostructure undergoes semiconductor-to-metal 
      band gap transition when subjected to external out-of-plane electric field. We 
      also found that applying external strain and compressing the interlayer distance 
      are two simple ways of tuning the electronic structure. An unexpected 
      indirect-direct band gap transition is also observed in the AAII pattern via 
      adjusting the interlayer distance. Quite interestingly, the calculated results 
      exhibit that the germanene/ZnSe heterobilayer structure has perfect optical 
      absorption in the solar spectrum as well as the infrared and UV light zones, 
      which is superior to that of the individual ZnSe substrate and germanene. The 
      staggered interfacial gap and tunability of the energy band structure via 
      interlayer distance and external electric field and strain thus make the 
      germanene/ZnSe heterostructure a promising candidate for field effect transistors 
      (FETs) and nanoelectronic applications.
FAU - Ye, H Y
AU  - Ye HY
AD  - Key Laboratory of Optoelectronic Technology & Systems, Education Ministry of 
      China, Chongqing University and College of Optoelectronic Engineering, Chongqing 
      University, 400044 Chongqing, China. xianpingchen@cqu.edu.cn.
FAU - Hu, F F
AU  - Hu FF
FAU - Tang, H Y
AU  - Tang HY
FAU - Yang, L W
AU  - Yang LW
FAU - Chen, X P
AU  - Chen XP
FAU - Wang, L G
AU  - Wang LG
FAU - Zhang, G Q
AU  - Zhang GQ
LA  - eng
PT  - Journal Article
PL  - England
TA  - Phys Chem Chem Phys
JT  - Physical chemistry chemical physics : PCCP
JID - 100888160
EDAT- 2018/06/02 06:00
MHDA- 2018/06/02 06:01
CRDT- 2018/06/02 06:00
PHST- 2018/06/02 06:00 [pubmed]
PHST- 2018/06/02 06:01 [medline]
PHST- 2018/06/02 06:00 [entrez]
AID - 10.1039/c8cp00870a [doi]
PST - ppublish
SO  - Phys Chem Chem Phys. 2018 Jun 13;20(23):16067-16076. doi: 10.1039/c8cp00870a.