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The paper discusses the magnetic state of zeta phase of iron nitride viz. $\zeta$-Fe$_2$N on the basis of spin polarized first principles electronic structure calculations together with a review of already published data. Results of our…

Materials Science · Physics 2017-06-20 K. Sandeep Rao , H. G. Salunke

One year after their initial discovery, two schools of thought have crystallized regarding the electronic structure and magnetic properties of ferropnictide systems. One postulates that these are itinerant weakly correlated metallic systems…

Materials Science · Physics 2015-05-13 M. D. Johannes , Igor Mazin

High temperature superconductivity in iron pnictides and chalcogenides emerges when a magnetic phase is suppressed. The multi-orbital character and the strength of correlations underlie this complex phenomenology, involving magnetic…

Strongly Correlated Electrons · Physics 2016-02-10 E. Bascones , B. Valenzuela , M. J. Calderon

The stable magnetisation configurations of antiferromagnets on quasiperiodic tilings are investigated theoretically. The exchange coupling is assumed to decrease exponentially with the distance between magnetic moments. It is demonstrated…

Disordered Systems and Neural Networks · Physics 2007-05-23 E. Y. Vedmedenko , U. Grimm , R. Wiesendanger

In this paper, the frustration properties of the Ising model on a one-dimensional monoatomic equidistant lattice in an external magnetic field are investigated, taking into account the exchange interactions of atomic spins at the sites of…

Statistical Mechanics · Physics 2023-03-22 A. V. Zarubin , F. A. Kassan-Ogly

We show that the magnetic and vacancy orders in the 122 $(A_{1-y}Fe_{2-x}Se_2)$ iron-chalcogenides can be naturally derived from the $J_1-J_2-J_3$ model with $J_1$ being the ferromagnetic (FM) nearest neighbor exchange coupling and $J_{2},…

Strongly Correlated Electrons · Physics 2012-04-05 Chen Fang , Bao Xu , Pengcheng Dai , Tao Xiang , Jiangping Hu

We report neutron scattering studies on static magnetic orders and spin excitations in the Fe-based chalcogenide system Fe$_{1+\delta}$Se$_{x}$Te$_{1-x}$ with different Fe and Se compositions. Short-range static magnetic order with the…

In the iron pnictide superconductors, theoretical calculations have consistently shown enhancements of the static magnetic susceptibility at both the stripe-type antiferromagnetic (AFM) and in-plane ferromagnetic (FM) wavevectors. However,…

Superconductivity · Physics 2015-10-28 P. Wiecki , B. Roy , D. C. Johnston , S. L. Bud'ko , P. C. Canfield , Y. Furukawa

A very fundamental and unconventional characteristic of superconductivity in iron-based materials is that it occurs in the vicinity of {\it two} other instabilities. Apart from a tendency towards magnetic order, these Fe-based systems have…

Superconductivity · Physics 2015-01-26 S. -H. Baek , D. V. Efremov , J. M. Ok , J. S. Kim , Jeroen van den Brink , B. Büchner

Defects in frustrated antiferromagnetic spin chains are universally present in geometrically frustrated systems. We consider the defects of the one-dimensional, spin-$s$ XXZ chain with single-ion anisotropy on a periodic chain with $N$…

Strongly Correlated Electrons · Physics 2023-02-22 Christian Boudreault , Solomon A. Owerre , Manu B. Paranjape

Density-functional calculations are carried out to investigate incommensurate magnetic structures and ferroelectric polarization in newly discovered multiferroic material MnI$_2$. The exchange interactions among local moments on Mn are…

Strongly Correlated Electrons · Physics 2013-05-30 Xianxin Wu , Yingxiang Cai , Qing Xie , Hongming Weng , Heng Fan , Jiangping Hu

The electronic structure and magnetic properties of LiFeAs and FeSe have been studied using hybrid exchange density functional theory. The total energies for a unit cell in LiFeAs and FeSe with different spin states including non-magnetic…

Superconductivity · Physics 2015-03-20 Wei Wu

The recent discovery of superconductivity in the iron-based layered pnictides with T_c ranging between 26 and 56K generated enormous interest in the physics of these materials. Here, we review some of the peculiarities of the…

Superconductivity · Physics 2014-05-20 Ilya Eremin , Johannes Knolle , Rafael M. Fernandes , Jörg Schmalian , Andrey V. Chubukov

Since its discovery, iron-based superconductivity has been known to develop near an antiferromagnetic order, but this paradigm fails in the iron chalcogenide FeSe, whose single-layer version holds the record for the highest superconducting…

Strongly Correlated Electrons · Physics 2020-06-22 Wen-Jun Hu , Hsin-Hua Lai , Shou-Shu Gong , Rong Yu , Elbio Dagotto , Qimiao Si

We report the results of a study of magnetic field features of electron transport in heterojunctions with NS boundary inside iron-based superconductors, represented by a binary phase of $\alpha$ - FeSe and oxyarsenide pnictide LaO(F)FeAs.…

Superconductivity · Physics 2015-03-16 M. O. Dzyuba , Yu. N. Chiang , D. A. Chareev , A. N. Vasiliev

By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an…

Strongly Correlated Electrons · Physics 2011-05-12 Yu-Zhong Zhang , Hunpyo Lee , Ingo Opahle , Harald O. Jeschke , Roser Valenti

To clarify the instability of the ferrimagnetism which is the fundamental magnetism of ferrite, numerical-diagonalization study is carried out for the two-dimensional S=1/2 Heisenberg antiferromagnet with frustration. We find that the…

Materials Science · Physics 2015-02-09 Hiroki Nakano , Toru Sakai

The dense Kondo lattice Ce$_5$CoGe$_2$ exhibits superconductivity once the magnetic ordering is suppressed by pressure. Here the ambient pressure magnetic state is investigated via magnetization, heat capacity, powder neutron diffraction,…

Within the framework of the $s$-$d(f)$ exchange model in the mean-field approximation for square, simple cubic, body-centered and face-centered cubic lattices, the formation of a ferromagnetic, spiral, and commensurate antiferromagnetic…

Strongly Correlated Electrons · Physics 2021-07-14 A. K. Pankratova , P. A. Igoshev , V. Yu. Irkhin

By applying density functional theory calculations to iron chalcogenides, we find that magnetic order in Fe$_{1+y}$Te and magnetic instability at $(\pi,\pi)$ in K$_y$Fe$_2$Se$_2$ are controlled by interstitial and interlayer cations,…

Superconductivity · Physics 2016-03-17 Shan-Chang Tang , Ming-Cui Ding , Yu-Zhong Zhang