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Electronic structure and magnetic properties of ZrFe$_2$ with a cubic Laves phase are investigated by calculations based on the density functional theory. The total magnetic moment (m) of 3.14 $\mu_B$ per formula unit (\emph{f.u.}) is…

材料科学 · 物理学 2015-05-22 Wenxu Zhang , Wanli Zhang

The electronic structures of four Laves phase iron compounds (e.g. YFe$_2$, ZrFe$_2$, LuFe$_2$ and HfFe$_2$) have been calculated by the state-of-the-art full potential electronic structure code. The magnetic moments collapse under…

材料科学 · 物理学 2015-12-08 Wenxu Zhang , Wanli Zhang

Iron oxide is one of the most important components in Earth's mantle. Recent discovery of the stable presence of Fe5O6 at Earth's mantle environment stimulates significant interests in the understanding of this new category of iron oxides.…

材料科学 · 物理学 2021-09-01 Qiao-Ying Qin , Ai-Qin Yang , Xiang-Ru Tao , Liu-Xiang Yang , Hui-Yang Gou , Peng Zhang

Monoclinic Y$_{0.7}$Er$_{0.3}$Fe$_2$D$_{4.2}$ compound exhibits unusual magnetic properties with different field induced magnetic transitions. The deuteride is ferrimagnetic at low temperature and the Er and Fe sublattices present magnetic…

材料科学 · 物理学 2023-05-05 Z. Arnold , O. Isnard , V. Paul-Boncour

Properties of iron oxides at the extreme conditions are of essential importance in condensed matter physics and Geophysics. The recent discovery of a new type of iron oxide, Fe4O5, at high pressure and high temperature of Earth's deep…

强关联电子 · 物理学 2021-09-14 Aiqin Yang , Qiaoying Qin , Xiangru Tao , Shengli Zhang , Yongtao Zhao , Peng Zhang

The compound FeMnP$_{0.50}$Si$_{0.50}$ has been studied by magnetic measurements, M\"ossbauer spectroscopy and electronic structure and total energy calculations. An unexpected high magnetic hyperfine field for Fe atoms located at the…

Nowdays, multiferroic materials with magnetoelectric coupling have many real-world applications in the fields of novel memory devices. It is challenging is to create multiferroic materials with strongly coupled ferroelectric and…

材料科学 · 物理学 2018-05-29 Deobrat Singh , Sanjeev K. Gupta , Haiying He , Yogesh Sonvane

The experimental studies of the paramagnetic-antiferromagnetic phase transition through M\"{o}ssbauer spectroscopy and measurements of temperature and field dependencies of magnetic susceptibility in the layered Cu$_{0.15}$Fe$_{0.85}$PS$_3$…

计算物理 · 物理学 2023-01-05 V. Pashchenko , O. Bludov , D. Baltrunas , K. Mazeika , S. Motria , K. Glukhov , Yu. Vysochanskii

The electronic and magnetic properties of Sr$_2$CoO$_4$ compound have been studied using $\emph{ab initio}$ electronic structure calculations. As opposed to GGA calculation, which gives ferromagnetic metallic solution, GGA+$U$ calculations…

强关联电子 · 物理学 2010-01-26 Sudhir K. Pandey

Half-metallic ferromagnets show 100% spin-polarization at the Fermi level and are ideal candidates for spintronic applications. Despite the extensive research in the field, very few materials have been discovered so far. Here we present…

Recent experiments on Pd$_{3}$Fe intermetallics [Phys. Rev. Lett. 102, 237202 (2009)] have revealed that the system behaves like a classical invar alloy under high pressure. The experimental pressure-volume relation suggests an anomalous…

材料科学 · 物理学 2012-10-03 Biswanath Dutta , Sumanta Bhandary , Subhradip Ghosh , Biplab Sanyal

We present a thorough $^{77}$Se NMR study of a single crystal of the magnetoelectric compound Cu$_2$OSeO$_3$. The temperature dependence of the local electronic moments extracted from the NMR data is fully consistent with a magnetic phase…

强关联电子 · 物理学 2010-09-17 M. Belesi , I. Rousochatzakis , H. C. Wu , H. Berger , I. V. Shvets , F. Mila , J. P. Ansermet

We report the structural and magnetic properties of high-quality bulk single crystals of the kagome ferromagnet Fe$_3$Sn. The dependence of magnetisation on the magnitude and orientation of the external field reveals strong easy-plane type…

The magnetism in Mn$_3$Si$_2$Te$_6$ has been investigated using thermodynamic measurements, first principles calculations, neutron diffraction and diffuse neutron scattering on single crystals. These data confirm that Mn$_3$Si$_2$Te$_6$ is…

The magnetic properties of Fe1.03Te under hydrostatic pressure up to p ~ 5.7 GPa were investigated by means of muon spin rotation, dc magnetization, and neutron depolarization measurements. With increasing pressure the antiferromagnetic…

Electronic structure and magnetic properties for iron-selenide KFe$_2$Se$_2$ are studied by first-principles calculations. The ground state is stripe-like antiferromagnetic with calculated 2.26 $\mu_B$ magnetic moment on Fe atoms; and the…

超导电性 · 物理学 2015-05-20 Chao Cao , Jianhui Dai

In this study we present a detailed ab initio analysis of the magnetic properties of VSe2 . Ab initio calculations in the so-called 1T structure yield a ferromagnetic phase as most stable, with a magnetic moment of about 0.6 {\mu} B /V.…

材料科学 · 物理学 2018-09-20 Adolfo O. Fumega , Victor Pardo

Thermal expansion, magnetostriction and magnetization measurements under magnetic field and hydrostatic pressure were performed on a $\mathrm{UAu_{2}Si_{2}}$ single crystal. They revealed a large anisotropy of magnetoelastic properties…

We investigate the effect of external pressure on the Fe magnetic moment in undoped LaOFeAs within the framework of density functional theory and show that this system is close to a magnetic instability: The Fe moment is found to drop by…

超导电性 · 物理学 2009-01-22 I. Opahle , H. C. Kandpal , Y. Zhang , C. Gros , R. Valenti

Magnetization and specific heat measurements on a UIrSi3 single crystal reveal Ising-like antiferromagnetism below T$_N$ = 41.7 K with easy magnetization direction along the c-axis of tetragonal structure. The antiferromagentic ordering is…

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