GRAPHENE NANORIBBONS TRANSPORT PROPERTIES CALCULATION

被引:0
作者
Voves, Jan [1 ]
机构
[1] Czech Tech Univ, Fac Elect Engn, CZ-16627 Prague 6, Czech Republic
来源
NANOCON 2010, 2ND INTERNATIONAL CONFERENCE | 2010年
关键词
graphene nanoribbons; spintronics; density functional theory;
D O I
暂无
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Graphene, a two-dimensional sheet of sp(2)-bonded carbon arranged in a honeycomb lattice, is a potential candidate for use in future nanodevices. The lateral confinement of the two-dimensional electron gas in graphene nanoribbons (GNR) can tune their electrical properties. We performed density-functional theory (DFT) based calculations to obtain electronic structure of both zig-zag and armchair GNRs with lateral constrictions. The spin-dependent exchange-correlation potential is approximated within the generalized gradient approximation using the QuantumWise toolkit ATK, which employs local numerical double-zeta polarized basis orbitals. The spin-dependent transport properties of the electrode-device-electrode geometry were calculated by means of non-equilibrium Green's function formalism as implemented in ATK. Band structures calculated by the DFT were compared with results of the semi-empirical method (Extended Huckel model). Our results show that GNRs with the constrictions exhibit novel transport properties. The horizontal layout of the GNR constrictions determines main features important for electrical and spintronic applications of these structures. The constrictions could be realized by means of local anodic oxidation using scanning probe microscope.
引用
收藏
页码:83 / 88
页数:6
相关论文
共 7 条
[1]  
FURST PJA, 2009, PHYS REV B, V80
[2]  
Kohanoff J., 2006, Electronic Structure Calculations For Solids and molecules: Theory and Computational Methods
[3]   First-principles calculations of spin-dependent conductance of graphene flakes [J].
Sahin, H. ;
Senger, R. T. .
PHYSICAL REVIEW B, 2008, 78 (20)
[4]   Magnetism of substitutional Co impurities in graphene: Realization of single π vacancies [J].
Santos, E. J. G. ;
Sanchez-Portal, D. ;
Ayuela, A. .
PHYSICAL REVIEW B, 2010, 81 (12)
[5]   First-principles approach to monitoring the band gap and magnetic state of a graphene nanoribbon via its vacancies [J].
Topsakal, M. ;
Aktuerk, E. ;
Sevincli, H. ;
Ciraci, S. .
PHYSICAL REVIEW B, 2008, 78 (23)
[6]   Atomic force microscope local oxidation nanolithography of graphene [J].
Weng, Lishan ;
Zhang, Liyuan ;
Chen, Yong P. ;
Rokhinson, L. P. .
APPLIED PHYSICS LETTERS, 2008, 93 (09)
[7]   Spin polarization and giant magnetoresistance effect induced by magnetization in zigzag graphene nanoribbons [J].
Zhang, Ying-Tao ;
Jiang, Hua ;
Sun, Qing-feng ;
Xie, X. C. .
PHYSICAL REVIEW B, 2010, 81 (16)