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Zn0.96Mn0.04O samples were synthesized by solid state reaction technique to explore their magnetic behavior. Structural, morphological and magnetic properties of the samples have been found to be modified by 50 MeV Li+3 ion beam…

We present results of local spin density approximation pseudopotential calculations for the ferroelectromagnet, yttrium manganite (YMnO3). The origin of the differences between ferroelectric and non-ferroelectric perovskite manganites is…

材料科学 · 物理学 2015-06-25 Alessio Filippetti , Nicola A. Hill

We study the electronic structure and magnetic interactions in methylamine-intercalated orthorhombic alkali-doped fullerene (CH3NH2)K3C60 within the density functional theory. As in the simpler ammonia intercalated compound (NH3)K3C60, the…

强关联电子 · 物理学 2015-06-05 Anton Potočnik , Nicola Manini , Matej Komelj , Erio Tosatti , Denis Arčon

We have performed powder neutron diffraction on $^7$Li-enriched sample of LiMn$_2$O$_4$ at 300 K. The crystal structure determined by Rietveld analysis is a cubic spinel with space group of $Fd\bar{3}m$ in which all Mn atoms are…

We present the results of microscopic investigations of antiferromagnetic CeNiGe$_3$, using neutron powder diffraction (NPD), inelastic neutron scattering (INS), and muon spin relaxation ($\mu$SR) measurements. CeNiGe$_3$ crystallizes in a…

We report the crystal structure, magnetization and neutron scattering measurements on the double perovskite Ba$_2$YOsO$_6$. The $Fm\overline{3}m$ space group is found both at 290~K and 3.5~K with cell constants $a_0 = 8.3541(4)$~{\AA} and…

We study how strain affects orbital ordering and magnetism at the interface between SrMnO$_3$ and LaMnO$_3$ from density-functional calculations and interpret the basic results in terms of a three-site Mn-O-Mn model. Magnetic interaction…

材料科学 · 物理学 2010-03-10 B. R. K. Nanda , S. Satpathy

Investigation of the electronic and spin structure in double perovskites is recently attracting significant attention, mainly driven by their unique multifunctional properties and other underlying charge and spin dynamics. Herein, using…

材料科学 · 物理学 2023-07-18 R. Hissariya , R. Sharma , S. K. Mishra

We report a x-ray resonant diffraction study of the perovskite Pr0.6Ca0.4MnO3. At the Mn K-edge, this technique is sensitive to details of the electronic structure of the Mn atoms. We discuss the resonant x-ray spectra measured above and…

The crystal and magnetic structure of polycrystalline $La{}_{0.5-x}Nd{}_{x}Ca_{0.5}MnO{}_{3}$ (0.0 \ensuremath{\le} x \ensuremath{\le} 0.5) samples have been investigated using magnetization, resistivity, transmission electron microscope,…

材料科学 · 物理学 2010-11-01 Indu Dhiman , A. Das , P. K. Mishra , N. P. Lalla , A. Kumar

We have investigated the structural and magnetic transitions in CsCoO$_2$ using calorimetric measurements, neutron powder diffraction (NPD), density functional theory (DFT) calculations and muon-spin relaxation ($\mu$SR) measurements.…

强关联电子 · 物理学 2015-06-23 N. Z. Ali , R. C. Williams , F. Xiao , S. J. Clark , T. Lancaster , S. J. Blundell , D. V. Sheptyakov , M. Jansen

The structural, magnetic, and electronic properties of NdFe$_{0.5}$Mn$_{0.5}$O$_3$ have been studied in detail using bulk magnetization, neutron/x-ray diffraction and first principles density functional theory calculations. The material…

强关联电子 · 物理学 2017-10-25 Ankita Singh , A. Jain , Avijeet Ray , B. Padmanabhan , S. M. Yusuf , T. Maitra , V. K. Malik

Magnetic structures and the relationship between spin and charge-orbital orderings of an A-site ordered double-perovskite manganite SmBaMn2O6, an anticipated multiferroic material, were investigated by means of neutron diffraction. The spin…

The local environment of Mn atoms in stoichiometric Ni-Mn-Ga Heusler alloys was investigated using Nuclear Magnetic Resonance (NMR) and interpreted with the help of Density Functional Theory (DFT) methods. In cubic austenite, the…

材料科学 · 物理学 2026-03-03 Vojtěch Chlan , Martin Adamec , Oleg Heczko

We investigate the electronic and magnetic properties of Mn-doped CdTe nanocrystals (NCs) with 2 nm in diameter which can be experimentally synthesized with Mn atoms inside. Using the density-functional theory, we consider two doping cases:…

介观与纳米尺度物理 · 物理学 2015-05-18 C. Echeverría-Arrondo , J. Pérez-Conde , A. Ayuela

High real-space-resolution atomic pair distribution functions of La_(1-x)Ca_(x)MnO_3 (x=0.12, 0.25 and 0.33) have been measured using high-energy x-ray powder diffraction to study the size and shape of the MnO_6 octahedron as a function of…

材料科学 · 物理学 2009-10-31 S. J. L. Billinge , Th. Proffen , V. Petkov , J. L. Sarrao , S. Kycia

In 3d-electron magnetic systems, the magnetic structures that transform each other by spin rotation have very close degenerate energies due to small spin-orbit coupling and can be easily controlled by chemical substitution and external…

材料科学 · 物理学 2025-11-20 Vu Thi Ngoc Huyen , Yuki Yanagi , Michi-To Suzuki

We compare the magnetic and electronic configuration of single Mn atoms in molecular beam epitaxy (MBE) grown Bi$_2$Se$_3$ thin films, focusing on electron paramagnetic (ferromagnetic) resonance (EPR and FMR, respectively) and…

The magnetic structure and spin-wave excitations in the quasi-square-lattice layered perovskite compound La$_5$Mo$_4$O$_{16}$ were studied by a combination of neutron diffraction and inelastic neutron scattering techniques using…

The electronic and magnetic structures of A2CrN3 (A = Ce, U) ternary compounds calculated based on band magnetism within DFT exhibit different behaviors of the nf elements (n = 4, 5 resp.). Charge analysis allows to formally express the two…

材料科学 · 物理学 2018-08-30 Samir F. Matar , Charbel N. Kfoury