Effect of Coulomb correlations on one-dimensional monatomic nanowire

Dua, Piyush; Jain, Arvind Kumar; Sharma, Sandeep; Jain, Ankita

doi:10.1504/ijnt.2012.049458

Cited by 1 publication

(2 citation statements)

References 33 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The Hubbard model has been used to study the itinerant ferromagnets for quite a long time. It was investigated by Hirsch and thereafter by Dua et al , that the inclusion of off-diagonal elements of the Coulomb interaction in the Hamiltonian introduces band narrowing/broadening, and it is the key concept for a system to become ferromagnetic. The Hamiltonian, which includes all the off-diagonal matrix elements of Coulomb interaction, is given by In eq h.c. denotes Hermitian conjugate, and c i σ † / c i σ creates/destroys an electron of spin σ at site “ i ”.…”

Section: Calculation Methodsmentioning

confidence: 99%

“…Despite a number of Hubbard model studies on ferromagnetic NWs, − such a Hubbard model has not been well tested by using DFT. Thus, addressing the techniques used for qualitative derivation of variation of bandwidth with magnetization based on the Hubbard model in the Supporting Information, we report a quantitative description of results obtained from DFT calculations.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Ferromagnetism in Monatomic Chains: Spin-Dependent Bandwidth Narrowing/Broadening

2017

Self Cite

View full text Add to dashboard Cite

We have analyzed the role of band narrowing/broadening in the magnetic and electronic properties of low dimensional itinerant strongly correlated electronic systems, which is particularly important in 3d transition elements. Density functional theory and mean field results have been coupled to explain the magnetic phenomenon in a one-dimensional monatomic chain of 3d transition elements Sc, Ti, V, Cr, Mn, Fe, Co, and Ni. We found that in the ferromagnetic ground state not only the band splitting but also the relative band narrowing/broadening play a crucial role, and the bandwidths of both spins become different as a manifestation of correlated spin hopping interaction. For less than the half-filled band (i.e., for Sc, Ti, V, and Cr), the up spin band broadens, and the down spin band narrows. For the (half and) more than half filled band (i.e., for Mn, Fe, Co, and Ni), the down spin band broadens, and the up spin band narrows. As a result, (in most of the cases) only one spin channel is present for conduction, showing ferromagnetism which could be useful for spintronics.

show abstract