Edge effects in bilayer graphene nanoribbons: Ab initio total-energy density functional theory calculations
被引:57
作者:
Lima, Matheus P.
论文数: 0引用数: 0
h-index: 0
机构:
Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, BrazilUniv Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, Brazil
Lima, Matheus P.
[1
]
Fazzio, A.
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h-index: 0
机构:
Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, Brazil
Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210170 Sao Paulo, SP, BrazilUniv Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, Brazil
Fazzio, A.
[1
,2
]
da Silva, Antonio J. R.
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h-index: 0
机构:
Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, BrazilUniv Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, Brazil
da Silva, Antonio J. R.
[1
]
机构:
[1] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, SP, Brazil
[2] Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210170 Sao Paulo, SP, Brazil
来源:
PHYSICAL REVIEW B
|
2009年
/
79卷
/
15期
基金:
巴西圣保罗研究基金会;
关键词:
ab initio calculations;
density functional theory;
graphene;
ground states;
nanostructured materials;
van der Waals forces;
ROOM-TEMPERATURE;
BERRYS PHASE;
GAS;
D O I:
10.1103/PhysRevB.79.153401
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
We show that the ground state of zigzag bilayer graphene nanoribbons is nonmagnetic. It also possesses a finite gap, which has a nonmonotonic dependence with the width as a consequence of the competition between bulk and strongly attractive edge interactions. All results were obtained using ab initio total-energy density functional theory calculations with the inclusion of parametrized van der Waals interactions.
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机构:
Univ Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Univ Porto, Fac Ciencias, Dept Fis, P-4169007 Oporto, PortugalUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Castro, Eduardo V.
Peres, N. M. R.
论文数: 0引用数: 0
h-index: 0
机构:
Univ Minho, Ctr Phys, P-4710057 Braga, Portugal
Univ Minho, Dept Fis, P-4710057 Braga, PortugalUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Peres, N. M. R.
Lopes dos Santos, J. M. B.
论文数: 0引用数: 0
h-index: 0
机构:
Univ Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Univ Porto, Fac Ciencias, Dept Fis, P-4169007 Oporto, PortugalUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Lopes dos Santos, J. M. B.
Castro Neto, A. H.
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h-index: 0
机构:
Boston Univ, Dept Phys, Boston, MA 02215 USAUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Castro Neto, A. H.
Guinea, F.
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h-index: 0
机构:
CSIC, Inst Ciencia Mat Madrid, E-28049 Madrid, SpainUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
机构:
Univ Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Univ Porto, Fac Ciencias, Dept Fis, P-4169007 Oporto, PortugalUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Castro, Eduardo V.
Peres, N. M. R.
论文数: 0引用数: 0
h-index: 0
机构:
Univ Minho, Ctr Phys, P-4710057 Braga, Portugal
Univ Minho, Dept Fis, P-4710057 Braga, PortugalUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Peres, N. M. R.
Lopes dos Santos, J. M. B.
论文数: 0引用数: 0
h-index: 0
机构:
Univ Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Univ Porto, Fac Ciencias, Dept Fis, P-4169007 Oporto, PortugalUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Lopes dos Santos, J. M. B.
Castro Neto, A. H.
论文数: 0引用数: 0
h-index: 0
机构:
Boston Univ, Dept Phys, Boston, MA 02215 USAUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal
Castro Neto, A. H.
Guinea, F.
论文数: 0引用数: 0
h-index: 0
机构:
CSIC, Inst Ciencia Mat Madrid, E-28049 Madrid, SpainUniv Porto, Fac Ciencias, CFP, P-4169007 Oporto, Portugal