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Resistivity, magnetic susceptibility, neutron scattering and x-ray crystallography measurements were used to study the evolution of magnetic order and crystallographic structure in single-crystal samples of the Ba1-xSrxFe2As2 and…

Superconductivity · Physics 2012-09-06 K. Kirshenbaum , N. P. Butch , S. R. Saha , P. Y. Zavalij , B. G. Ueland , J. W. Lynn , J. Paglione

We present a detailed structural investigation via neutron diffraction of differently heat treated samples Fe2VAl and Fe2+xV1-xAl. Moreover, the magnetic behaviour of these materials is studied by means of mSR and Mossbauer-experiments. Our…

Strongly Correlated Electrons · Physics 2009-11-07 I. Maksimov , D. Baabe , H. -H. Klauss , F. J. Litterst , R. Feyerherm , D. M. Toebbens , A. Matsushita , S. Suellow

The investigation of the magnetic phase transitions in the parent compounds of Fe-based superconductors is regarded essential for an understanding of the pairing mechanism in the related superconducting compounds. Even though the chemical…

Superconductivity · Physics 2017-12-01 Jonas Warmuth , Martin Bremholm , Philip Hofmann , Jens Wiebe , Roland Wiesendanger

(Fe,Co)$_2$B-based compounds with specified 5$d$ substitutions are considered as promising materials for permanent magnets without rare-earth elements. We conducted a combined first-principles and experimental study focused on…

CeRh6Ge4 is a cerium-based ferromagnetic material exhibiting a quantum critical behavior under pressure. We derive effective exchange interactions, using the framework of density functional theory combined with dynamical mean-field theory.…

Strongly Correlated Electrons · Physics 2025-11-27 Shoichiro Itokazu , Akimitsu Kirikoshi , Harald O. Jeschke , Junya Otsuki

We have conducted a comprehensive investigation into the magnetic properties of the chiral multiferroic material CoTeMoO$_6$. In contrast with the previous claim of canted antiferromagnetic order with ferromagnetic components, our…

We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…

Materials Science · Physics 2019-10-08 M. Schmitt , C. H. Park , P. Weber , A. Jäger , J. Kemmer , M. Vogt , M. Bode

We investigate the pressure-induced evolution of crystal structure and magnetism in the kagome ferromagnet Fe$_3$Sn$_2$ by combining X-ray diffraction, X-ray Emission Spectroscopy, X-ray Magnetic Circular Dichroism, and spin-polarized…

Strongly Correlated Electrons · Physics 2026-03-27 S. Chattopadhyay , L. Thomarat , C. S. Ong , K. Kargeti , Lipika , J. -P. Rueff , L. Nataf , K. Manna , S. K. Panda , C. Shekhar , V. Balédent

We demonstrate a canted magnetization of biatomic zigzag Co chains grown on the 5 x 1 reconstructed Ir(001) surface using density functional theory calculations and spin-polarized scanning tunneling microscopy (SP-STM) experiments. Biatomic…

The influence of hydrostatic pressure and ab-plane strain on the magnetic structure of FeTe is investigated from first principles. The results of calculations reveal a phase transition from antiferromagnetic double-stripe ordering at…

Superconductivity · Physics 2014-02-11 A. Ciechan , M. J. Winiarski , M. Samsel-Czekała

We employ a kinetic-exchange tight-binding model to calculate the magnetic interaction and anisotropy energies of a pair of substitutional Mn atoms in GaAs as a function of their separation distance and direction. We find that the most…

Materials Science · Physics 2015-05-18 T. O. Strandberg , C. M. Canali , A. H. MacDonald

We report an unusual, non-monotonous dependence of the exchange bias on the thickness of the ferromagnetic layer in a ferromagnet/antiferromagnet bilayer system. We show that in epitaxial CoO/Fe(110) bilayers, the evolution of the Fe…

Mesoscale and Nanoscale Physics · Physics 2017-09-29 M. Ślęzak , T. Ślęzak , P. Dróżdż , B. Matlak , K. Matlak , J. Korecki

Epitaxial strain provides a powerful, non-chemical route to tune the properties of functional materials by manipulating the coupling between spin, charge, and lattice degrees of freedom. Using density functional theory (DFT) calculations…

Strongly Correlated Electrons · Physics 2025-12-19 Sudip Mandal , Mihir Ranjan Sahoo , Kalpataru Pradhan

The structural, electronic and magnetic properties of Fe7S8 material have been studied within the framework of the ab-initio calculations, the mean field approximation (MFA) and Monte Carlo simulation (MCS). Our study shows that two forms…

Materials Science · Physics 2020-12-09 S. Benyoussef , Y. EL Amraoui , H. Ez-Zahraouy , D. Mezzane , Z. Kutnjak , I. A. Luk'yanchuk , M. EL Marssi

Using first-principles calculations based on density functional theory (DFT), we investigate the exchange interaction between a magnetic tip and a magnetic sample which is detected in magnetic exchange force microscopy (MExFM) and also…

Materials Science · Physics 2009-11-13 C. Lazo , V. Caciuc H. Hoelscher , S. Heinze

Magnetism in the orthorhombic metal CaFe$_4$As$_3$ was examined through neutron diffraction for powder and single crystalline samples. Incommensurate (${\bm q}_{\rm m}\approx (0.37-0.39)\times{\bm b}^{\ast}$) and predominantly…

We provide a complete and systematic first-principles study of the thermodynamic stability, structural parameters, and magnetic properties of the T1 non-collinear antiferromagnetic L1$_2$-IrMn$_3$ surface and L1$_2$-IrMn$_3$/Fe…

Materials Science · Physics 2020-10-16 Daniel Maldonado-Lopez , Noboru Takeuchi , Jonathan Guerrero-Sanchez

The electronic structure of anti-ferromagnetic $Cr_{2}As$ is investigated. Anisotropy of exchange interactions between chrome sub-lattices is determined ($J^{X}(Cr_{I}-Cr_{II}) =4.77 meV,J^{Y}(Cr_{I}-Cr_{II}) =-6.36 meV$). The behavior of…

Materials Science · Physics 2019-02-12 V. I. Valkov , A. V. Golovchan , U. Aparajita , O. Roslyak

In the framework of density functional theory, the structural and magnetic properties of Fe$_{100-x}$Al$_x$ alloys (${5 \leq x \leq 25}$~at.\%) with the different structural order are investigated. Using the Korringa-Kohn-Rostoker Green's…

Based on first principle calculations we have investigated the evolution of magnetism in free-standing monolayer FeSe with respect to lattice constant and magnetism in bulk FeSe. The computational results show that the magnetic order in…

Superconductivity · Physics 2015-10-20 Shuai Wang , Fa Wang
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