PMID- 21897985
OWN - NLM
STAT- MEDLINE
DCOM- 20120126
LR  - 20131121
IS  - 2040-3372 (Electronic)
IS  - 2040-3364 (Linking)
VI  - 3
IP  - 10
DP  - 2011 Oct 5
TI  - Electronic and magnetic properties of pristine and chemically functionalized 
      germanene nanoribbons.
PG  - 4330-8
LID - 10.1039/c1nr10594a [doi]
AB  - We perform a spin polarized density-functional theory (DFT) study of the 
      electronic and magnetic properties of pristine and chemically doped germanene 
      nanoribbons (GeNRs) with different widths. It is found that the Ge atom at the 
      ribbon edge always prefers to be substituted by an impurity atom. Our study 
      reveals that a single N or B atom substitution induces a semiconducting-metal 
      transition in armchair oriented germanene nanoribbons (AGeNRs) as evidenced by 
      the appearance of a half-filled band with less dispersion; however, N and B 
      co-doping at the ribbon edges only modifies their band gaps, due to the 
      accomplishment of an effective charge compensation. A single N or B atom 
      substitution usually turns antiferromagnetic (AFM) semiconducting zigzag 
      germanene nanoribbons (ZGeNRs) into ferromagnetic (FM) semiconductors. This 
      AFM-FM transition is attributed mainly to the perturbation of pi and pi states 
      localized at the doped edge. Double atom substitutions (regardless of N-N, B-B or 
      N-B configurations) at the edges of ZGeNRs removes the spin-polarization at both 
      edges and transforms them into non-magnetic (NM) semiconductors. Moreover, it is 
      interesting that some single atom doped ZGeNRs can exhibit a FM half-metallic 
      character with 100% spin-polarization at the Fermi level. Our results suggest 
      that doped AGeNRs and ZGeNRs have potential applications in Ge-based 
      nanoelectronics, such as field effect transistors (FETs), negative differential 
      resistance (NDR) and spin filter (SF) devices.
FAU - Pang, Qing
AU  - Pang Q
AD  - College of Physics and Information Technology, Shaanxi Normal University, Xian, 
      710062 Shaanxi, PR China.
FAU - Zhang, Yan
AU  - Zhang Y
FAU - Zhang, Jian-Min
AU  - Zhang JM
FAU - Ji, Vincent
AU  - Ji V
FAU - Xu, Ke-Wei
AU  - Xu KW
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20110907
PL  - England
TA  - Nanoscale
JT  - Nanoscale
JID - 101525249
RN  - 0 (Fullerenes)
RN  - 0 (Nanotubes, Carbon)
RN  - 0 (pristine (C60))
RN  - 00072J7XWS (Germanium)
SB  - IM
MH  - Fullerenes/*chemistry
MH  - Germanium/*chemistry
MH  - *Magnetics
MH  - Microscopy, Atomic Force
MH  - Nanotubes, Carbon/*chemistry
MH  - Semiconductors
EDAT- 2011/09/08 06:00
MHDA- 2012/01/27 06:00
CRDT- 2011/09/08 06:00
PHST- 2011/09/08 06:00 [entrez]
PHST- 2011/09/08 06:00 [pubmed]
PHST- 2012/01/27 06:00 [medline]
AID - 10.1039/c1nr10594a [doi]
PST - ppublish
SO  - Nanoscale. 2011 Oct 5;3(10):4330-8. doi: 10.1039/c1nr10594a. Epub 2011 Sep 7.