Ferromagnetism in nanotubes controlled by electron/hole doping

Author(s):  
L. Krusin-Elbaum
Keyword(s):  
2018 ◽  
Vol 24 (8) ◽  
pp. 5970-5974
Author(s):  
H. S Gouda ◽  
Sivabrata Sahu ◽  
G. C Rout

We propose a tight binding model study for graphene taking the electron hopping up to third-nearest-neighbors. The graphene placed on different polarized substrates introduces in-equivalences in the two sub-lattices of honeycomb unit cell of graphene. Further the electron/hole doping in graphene enhances the in-equivalence in both the sub-lattices. The Hubbard type Coulomb interaction between the electrons in both sub-lattices generates anti-ferromagnetic (AFM) order in graphene under certain conditions. Zubarev’s Green’s functions method is applied to solve the Hamiltonian. The spins of the electron in the two sub-lattices are assumed to be oriented in opposite directions giving rise to AFM order in the system. The magnetization is calculated from the Green’s functions and computed self-consistently. The effect of the presence of substrates and doping concentrations on magnetization is reported here.


2015 ◽  
Vol 92 (8) ◽  
Author(s):  
Alexander Hampel ◽  
Christoph Piefke ◽  
Frank Lechermann

Author(s):  
Hulei Yu ◽  
Wen Li ◽  
Yanzhong Pei ◽  
Yue Chen

Abstract Ternary chalcogenides have attracted great attention for their potential applications in thermoelectric devices. Here, we investigate the pressure and doping effects on the structural stability of BaAg2Te2 using first-principles calculations. Imaginary frequencies are observed in the calculated phonon dispersions of the reported Pnma structure, indicating that Pnma BaAg2Te2 is lattice dynamically unstable at 0 K. Although the imaginary phonon frequencies are small, we find that hydrostatic pressure cannot effectively stabilize the structure. Based on the soft mode at Γ point, a new monoclinic phase with a space group of P21/c is proposed. From ab-initio molecular dynamics simulations, the P21/c phase is predicted to transform to the Pnma phase at a low temperature below 100 K. Electron/hole doping effects on the lattice dynamical stability of the Pnma phase are also studied. It is found that hole doping is superior to electron doping in stabilizing the Pnma phase. Further study on the electrical transport properties of the Pnma phase reveals a higher performance along b axis than that along the other two directions. This work paves an avenue to better understand the structural stability and electrical transport properties of thermoelectric BaAg2Te2.


2016 ◽  
Vol 7 (1) ◽  
Author(s):  
Yoshitaka Kawasugi ◽  
Kazuhiro Seki ◽  
Yusuke Edagawa ◽  
Yoshiaki Sato ◽  
Jiang Pu ◽  
...  

ChemPhysChem ◽  
2012 ◽  
Vol 13 (12) ◽  
pp. 2937-2944 ◽  
Author(s):  
Artur Braun ◽  
Qianli Chen ◽  
Dorota Flak ◽  
Giuseppino Fortunato ◽  
Krisztina Gajda-Schrantz ◽  
...  

1994 ◽  
Vol 194-196 ◽  
pp. 1087-1088 ◽  
Author(s):  
S-W. Cheong ◽  
H.Y. Hwang ◽  
B. Batlogg ◽  
A.S. Cooper ◽  
P.C. Canfield

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