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The electronic structure and magnetism of chromia (corundum-type Cr2O3) are studied using full-potential first-principles calculations. The electronic correlations are included within the LSDA+U method. The energies of different magnetic…

材料科学 · 物理学 2009-03-08 Siqi Shi , A. L. Wysocki , K. D. Belashchenko

We studied single-crystalline Pr0.5Sr0.5MnO3 by means of measurements of magnetic susceptibility and specific heat at ambient pressure (P), and electrical resistivity (r) in hydrostatic pressures up to 2 GPa. This material displays…

强关联电子 · 物理学 2009-11-13 F. J. Rueckert , M. Steiger , B. K. Davis , T. Huynh , J. J. Neumeier , M. S. Torikachvili

By means of hybrid density functional theory we investigate the evolution of the structural, electronic and magnetic properties of the colossal magnetoresistance (CMR) parent compound LaMnO$_3$ under pressure. We predict a transition from a…

强关联电子 · 物理学 2012-05-08 J. He , M. -X. Chen , X. -Q Chen , C. Franchini

We have studied a nearly stoichiometric insulating Y$_{0.97(2)}$Cr$_{0.98(2)}$O$_{3.00(2)}$ single crystal by performing measurements of magnetization, heat capacity, and neutron diffraction. Albeit that the YCrO$_3$ compound behaviors like…

To investigate the pressure-induced structural transitions of chromium dioxide (CrO$_{2}$), phonon dispersions and total energy band structures are calculated as a function of pressure. The first structural transition has been confirmed at…

材料科学 · 物理学 2012-05-17 Sooran Kim , Kyoo Kim , Chang-Jong Kang , B. I. Min

We investigate the electronic structure of Chromium Nitride (CrN) across the first-order magneto-structural transition at T_N ~ 286 K. Resonant photoemission spectroscopy shows a gap in the 3d partial density of states at the Fermi level…

We present a comprehensive study of the magnetic structure evolution across the spin reorientation transition in orthorhombic (Pnma) TmCrO3. Magnetic susceptibility reveals canted antiferromagnetic (CAFM) ordering at T_N = 125 K, two…

First principles density functional calculations for Fe$_{2}$O$_{3}$ has been performed over a wide range of pressures. The ground state is corundum-type hematite and is an antiferromagnetic insulator. This is in good agreement with…

材料科学 · 物理学 2009-03-13 Dipta Bhanu Ghosh , Stefano de Gironcoli

We have investigated the magnetic properties of highly anisotropic layered ferromagnetic semiconductor CrI$_3$ in presence of hydrostatic pressure ($P$). At ambient pressure, magnetization exhibits a clear anomaly below 212 K along with a…

We report the enhancement of N\'eel temperature of Cr2O3 by replacing 50% of Cr by Fe prepared by sol-gel method. The structural analysis by neutron diffraction has revealed that FeCrO3 belongs to a corundum structure (R-3c space group)…

材料科学 · 物理学 2019-11-26 Rajesh kumar R , C. Dhanasekhar , N. Vijay Prakash Chaudhary , A. Das , A. Venimadhav

In this paper, a theoretical journey from electronic to magneto-caloric effect has been shown through the magnetic properties of aluminium induced yttrium chromate. The ground state electronic band structure and density of states have been…

材料科学 · 物理学 2021-09-21 Tushar Kanti Bhowmik , Tripurari Prasad Sinha

The insulating ferrimagnet Cu2OSeO3 shows a rich variety of phases such as skyrmion lattice and helical magnetism controlled by interplay of different exchange interactions which can be tuned by external pressure. In this work we have…

Local Spin Density Approximation (LSDA) is used to calculate the energy bands of both the ferromagnetic and paramagnetic phases of metallic CrO_2. The Fermi level lies in a peak in the paramagnetic density of states, and the ferromagnetic…

mtrl-th · 物理学 2009-10-30 Steven P. Lewis , Phillip B. Allen , Taizo Sasaki

We present high-pressure (2 GPa) $^7$Li nuclear magnetic resonance (NMR) measurements on single crystals of the hyper-honeycomb Kitaev magnet $\beta$-Li$_2$IrO$_3$. The spectra show evidence for a structural phase transition around 200 K…

The structural and magnetic properties of the hexagonal four-layer form of SrMnO$_3$ have been investigated by combining magnetization measurements, electron diffraction and high-resolution synchrotron X-ray and neutron powder diffraction.…

强关联电子 · 物理学 2007-05-23 A. Daoud-Aladine , C. Martin , L. C. Chapon , M. Hervieu , K. S. Knight , M. Brunelli , P. G. Radaelli

We investigated complex magnetic properties of multifunctional LaCrO3-LaFeO3 system. The magnetic measurements substantiate the presence of competing complex magnetic ordering against temperature, showing paramagnetic to ferrimagnetic…

强关联电子 · 物理学 2019-08-20 Brajesh Tiwari , Ambesh Dixit , M. S. Ramachandra Rao

We report the physical properties and electronic structure calculations of a layered chromium oxypnictide, Sr$_2$Cr$_3$As$_2$O$_2$, which crystallizes in a Sr$_2$Mn$_3$As$_2$O$_2$-type structure containing both CrO$_2$ planes and…

Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a…

The samples of Ga doped Cr2O3 oxide have been prepared using chemical co-precipitation route. X-ray diffraction pattern and Raman spectra have confirmed rhombohedral crystal structure with space group R3-C. Magnetic measurement has…

材料科学 · 物理学 2017-03-08 R. N. Bhowmik , K. Venkata Siva , R. Ranganathan , Chandan Mazumdar

Pressure evolution of the crystal structure and magnetism of the honeycomb $\alpha$-RuBr$_3$ is studied using high-pressure x-ray diffraction, magnetometry, and density-functional band-structure calculations. Hydrostatic compression…

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