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Fe$_3$GeTe$_2$ attracts significant attention due to technological perspectives of realizing room temperature ferromagnetism in two-dimensional materials. Here we show that due to structural peculiarities of the Fe$_3$GeTe$_2$ monolayer,…

Motivated by the recent experimental evidence of commensurate surface CDW in Pb/Ge(111) and Sn/Ge(111) $\sqrt{3}$-adlayer structures, as well as by the insulating states found on K/Si(111):B and SiC(0001), we have investigated the role of…

Strongly Correlated Electrons · Physics 2009-10-31 G. Santoro , S. Sorella , F. Becca , S. Scandolo , E. Tosatti

The structure of the $(\sqrt{31}\times \sqrt{31})R\pm9^\circ$ reconstructed phase on sapphire (0001) surface is investigated by means of a simulation based on the energy minimization. The interaction between Al adatoms is described with the…

Materials Science · Physics 2009-10-30 Igor Vilfan , Frederic Lancon , Jacques Villain

By connecting Hund's physics with flat band physics, we establish an exact result for studying ferromagnetism in a multiorbital system. We consider a two-layer model consisting of a $p_x$, $p_y$-orbital honeycomb lattice layer and an…

Strongly Correlated Electrons · Physics 2021-08-30 Eric Bobrow , Junjia Zhang , Yi Li

We use x-ray spectroscopy at Ir L$_3$/L$_2$ absorption edge to study powder samples of the intercalated honeycomb magnet Ag$_3$LiIr$_2$O$_6$. Based on x-ray absorption and resonant inelastic x-ray scattering measurements, and exact…

Strongly Correlated Electrons · Physics 2021-09-29 A. de la Torre , B. Zager , F. Bahrami , M. DiScala , J. R. Chamorro , M. H. Upton , G. Fabbris , D. Haskel , D. Casa , T. M. McQueen , F. Tafti , K. W. Plumb

We present a first-principles study of the unreconstructed (001) surfaces of the half-metallic ferromagnet NiMnSb. Both terminations (MnSb and Ni) are considered. We find that half-metallicity is lost at the surfaces. After a discussion of…

Materials Science · Physics 2007-05-23 Marjana Ležaić , Phivos Mavropoulos , Gustav Bihlmayer , Stefan Blügel

We study the ground-state (gs) phase diagram of the frustrated spin-1/2 $J_{1}$-$J_{2}$-$J_{3}$ antiferromagnet with $J_{2} = J_{3} =\kappa J_1$ on the honeycomb lattice, using coupled-cluster theory and exact diagonalization methods. We…

Strongly Correlated Electrons · Physics 2011-07-11 D. J. J. Farnell , R. F. Bishop , P. H. Y. Li , J. Richter , C. E. Campbell

We show that two distinct $3 \times 3$ ground states, one nonmagnetic, metallic, and distorted, the other magnetic, semimetallic (or insulating) and undistorted, compete in $\alpha$-phase adsorbates on semiconductor (111) surfaces. In…

Condensed Matter · Physics 2009-10-31 S. de Gironcoli , S. Scandolo , G. Ballabio , G. Santoro , E. Tosatti

Anisotropic magnetic properties of a layered kagome-like system Cu3Bi(SeO3)2O2Br have been studied by bulk magnetization and magnetic susceptibility measurements as well as powder and single-crystal neutron diffraction. At T_N = 27.4 K the…

Strongly Correlated Electrons · Physics 2012-10-16 M. Pregelj , O. Zaharko , A. Günther , A. Loidl , V. Tsurkan , S. Guerrero

We study the electronic structure of the Pd-terminated surface of the non-magnetic delafossite oxide metal PdCoO$_2$. Combining angle-resolved photoemission spectroscopy and density-functional theory, we show how an electronic…

Strongly Correlated Electrons · Physics 2019-02-20 F. Mazzola , V. Sunko , S. Khim , H. Rosner , P. Kushwaha , O. J. Clark , L. Bawden , I. Marković , T. K. Kim , M. Hoesch , A. P. Mackenzie , P. D. C. King

Using an ab-initio electronic structure method, I study the (111) surfaces of the half-metallic NiMnSb alloy. In all cases there is a very pronounced surface state within the minority gap which destroys the half-metallicity This state…

Materials Science · Physics 2009-11-10 I. Galanakis

We present a theory of magnetization reversal due to thermal fluctuations in thin submicron-scale rings composed of soft magnetic materials. The magnetization in such geometries is more stable against reversal than that in thin needles and…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Kirsten Martens , D. L. Stein , A. D. Kent

We introduce a pseudo-spin model for the argentophilic bond expected in silver-based bilayered materials arising from a spontaneous pseudo-magnetic field interacting with pseudo-spins of two unconventional Ag ions, namely $\rm Ag^{2+}$ and…

Mesoscale and Nanoscale Physics · Physics 2023-11-13 Godwill Mbiti Kanyolo , Titus Masese

Evidence for multiple magnetic transitions and unconventional spin exchange interactions in the ilmenite insulator MnTiO3 is provided via neutron scattering. On cooling, while G-type antiferromagnetic (AFM) order sets in first at 63 K with…

Strongly Correlated Electrons · Physics 2026-03-09 Srimal Rathnayaka , Luke Daemen , Despina Louca

We investigate the interplay between the structural reconstruction and the magnetic properties of Fe doublelayers on Ir (111)-substrate using first-principles calculations based on density functional theory and mapping of the total energies…

Materials Science · Physics 2018-12-19 Melanie Dupé , Stefan Heinze , Jairo Sinova , Bertrand Dupé

Broken inversion symmetry at the surfaces of centrosymmetric collinear antiferromagnets lifts combined inversion and time-reversal symmetry ($PT$) and can, in principle, enable nonrelativistic d-wave spin splitting, termed surface…

Materials Science · Physics 2026-05-20 Ersoy Sasioglu , Ingrid Mertig , Samir Lounis

Ferromagnetic resonance (FMR) study of magnetic anisotropy is presented for thin layers of IV-VI diluted magnetic semiconductor Ge1-xMn xTe with x=0.14 grown by molecular beam epitaxy (MBE) on KCl (001) substrate with a thin PbTe buffer.…

Asymmetric magnetization reversal is an unusual phenomenon in antiferromagnet / ferromagnet (AF/FM) exchange biased bilayers. We investigated this phenomenon in a simple model system experimentally and by simulation assuming inhomogeneously…

Materials Science · Physics 2009-11-11 Zhi-Pan Li , Oleg Petracic , Rafael Morales , Justin Olamit , Xavier Batlle , Kai Liu , Ivan K. Schuller

Based on first principles calculations, this study reveals that magnetism in otherwise non-magnetic materials can originate from the partial occupation of antibonding states. Since the antibonding wavefunctions are spatially antisymmetric,…

Materials Science · Physics 2018-12-05 Wei Xu , Jin Shang , Jie-Xiang Yu , J. G. Che

Low-dimensional magnetic systems based on honeycomb lattices provide a promising platform for exploring exotic quantum phenomena that emerge from the intricate interplay of competing spin, orbital, lattice, and dipolar degrees of freedom.…