258 research outputs found
Kitaev interactions between j=1/2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations
NaIrO, a honeycomb 5 oxide, has been recently identified as a
potential realization of the Kitaev spin lattice. The basic feature of this
spin model is that for each of the three metal-metal links emerging out of a
metal site, the Kitaev interaction connects only spin components perpendicular
to the plaquette defined by the magnetic ions and two bridging ligands. The
fact that reciprocally orthogonal spin components are coupled along the three
different links leads to strong frustration effects and nontrivial physics.
While the experiments indicate zigzag antiferromagnetic order in NaIrO,
the signs and relative strengths of the Kitaev and Heisenberg interactions are
still under debate. Herein we report results of ab initio many-body electronic
structure calculations and establish that the nearest-neighbor exchange is
strongly anisotropic with a dominant ferromagnetic Kitaev part, whereas the
Heisenberg contribution is significantly weaker and antiferromagnetic. The
calculations further reveal a strong sensitivity to tiny structural details
such as the bond angles. In addition to the large spin-orbit interactions, this
strong dependence on distortions of the IrO plaquettes singles out the
honeycomb 5 oxides as a new playground for the realization of
unconventional magnetic ground states and excitations in extended systems.Comment: 13 pages, 2 tables, 3 figures, accepted in NJ
Brillouin light scattering study of CoCrFeAl and CoFeAl Heusler compounds
The thermal magnonic spectra of CoCrFeAl (CCFA) and
CoFeAl were investigated using Brillouin light scattering spectroscopy
(BLS). For CCFA, the exchange constant A (exchange stiffness D) is found to be
0.48 erg/cm (203 meV A), while for CoFeAl the corresponding values
of 1.55 erg/cm (370 meV A) were found. The observed asymmetry in the
BLS spectra between the Stokes and anti-Stokes frequencies was assigned to an
interplay between the asymmetrical profiles of hybridized Damon-Esbach and
perpendicular standing spin-wave modes, combined with the optical sensitivity
of the BLS signal to the upper side of the CCFA or CoFeAl film
Electronic structure, magnetism, and disorder in the Heusler compound CoTiSn
Polycrystalline samples of the half-metallic ferromagnet Heusler compound
CoTiSn have been prepared and studied using bulk techniques (X-ray
diffraction and magnetization) as well as local probes (Sn M\"ossbauer
spectroscopy and Co nuclear magnetic resonance spectroscopy) in order to
determine how disorder affects half-metallic behavior and also, to establish
the joint use of M\"ossbauer and NMR spectroscopies as a quantitative probe of
local ion ordering in these compounds. Additionally, density functional
electronic structure calculations on ordered and partially disordered
CoTiSn compounds have been carried out at a number of different levels of
theory in order to simultaneously understand how the particular choice of DFT
scheme as well as disorder affect the computed magnetization. Our studies
suggest that a sample which seems well-ordered by X-ray diffraction and
magnetization measurements can possess up to 10% of antisite (Co/Ti)
disordering. Computations similarly suggest that even 12.5% antisite Co/Ti
disorder does not destroy the half-metallic character of this material.
However, the use of an appropriate level of non-local DFT is crucial.Comment: 11 pages and 5 figure
Geometric, electronic, and magnetic structure of CoFeSi: Curie temperature and magnetic moment measurements and calculations
In this work a simple concept was used for a systematic search for new
materials with high spin polarization. It is based on two semi-empirical
models. Firstly, the Slater-Pauling rule was used for estimation of the
magnetic moment. This model is well supported by electronic structure
calculations. The second model was found particularly for Co based Heusler
compounds when comparing their magnetic properties. It turned out that these
compounds exhibit seemingly a linear dependence of the Curie temperature as
function of the magnetic moment. Stimulated by these models, CoFeSi was
revisited. The compound was investigated in detail concerning its geometrical
and magnetic structure by means of X-ray diffraction, X-ray absorption and
M\"o\ss bauer spectroscopies as well as high and low temperature magnetometry.
The measurements revealed that it is, currently, the material with the highest
magnetic moment () and Curie-temperature (1100K) in the classes of
Heusler compounds as well as half-metallic ferromagnets. The experimental
findings are supported by detailed electronic structure calculations
Conventional and diffusion-weighted magnetic resonance imaging findings of benign fibromatous paratesticular tumor: a case report
<p>Abstract</p> <p>Introduction</p> <p>The vast majority of paratesticular masses are benign. Magnetic resonance imaging of the scrotum may provide valuable information in the pre-operative work-up of scrotal masses, by allowing the precise localization of the lesion and helping in characterizing its nature. Diffusion-weighted magnetic resonance imaging is an evolving technique that can be used to improve tissue characterization, when interpreted with the findings of conventional magnetic resonance sequences. We present the case of an adenomatoid tumor of the tunica albuginea, with abundant fibrosis evaluated by magnetic resonance imaging of the scrotum, including both conventional and diffusion-weighted sequences. To the best of our knowledge, there are very few reports in the English literature regarding the magnetic resonance imaging features of this rare benign paratesticular tumor and no report on the diffusion-weighted magnetic resonance findings. We discuss the value of magnetic resonance imaging in the pre-operative diagnosis of benign fibromatous paratesticular tumors and differential diagnosis.</p> <p>Case presentation</p> <p>A 45-year-old Caucasian man was referred to us with a palpable left scrotal mass. Magnetic resonance imaging of his scrotum revealed the presence of a multilobular left paratesticular mass, mainly detected with very low signal intensity on T2-weighted images and restricted diffusion on apparent diffusion coefficient maps. These findings were suggestive of a fibrous component, and were confirmed on histology following lesion excision.</p> <p>Conclusion</p> <p>Magnetic resonance imaging of the scrotum, by using both conventional and diffusion-weighted sequences, could have a potential role in the evaluation of scrotal masses.</p
Design of magnetic materials: CoCrFeAl
Doped Heusler compounds CoCrFeAl with varying Cr to Fe
ratio were investigated experimentally and theoretically. The electronic
structure of the ordered, doped Heusler compound CoCrFeAl
( was calculated using different types of band structure
calculations. The ordered compounds turned out to be ferromagnetic with small
Al magnetic moment being aligned anti-parallel to the 3d transition metal
moments. All compounds show a gap around the Fermi-energy in the minority
bands. The pure compounds exhibit an indirect minority gap, whereas the
ordered, doped compounds exhibit a direct gap. Magnetic circular dichroism
(MCD) in X-ray absorption spectra was measured at the edges of Co,
Fe, and Cr of the pure compounds and the alloy in order to determine
element specific magnetic moments. Calculations and measurements show an
increase of the magnetic moments with increasing iron content. The
experimentally observed reduction of the magnetic moment of Cr can be explained
by Co-Cr site-disorder. The presence of the gap in the minority bands of
CoCrAl can be attributed to the occurrence of pure Co and mixed CrAl
(001)-planes in the structure. It is retained in structures with
different order of the CrAl planes but vanishes in the -structure with
alternating CoCr and CoAl planes.Comment: corrected author lis
Tunable Multifunctional Topological Insulators in Ternary Heusler Compounds
Recently the Quantum Spin Hall effect (QSH) was theoretically predicted and
experimentally realized in a quantum wells based on binary semiconductor
HgTe[1-3]. QSH state and topological insulators are the new states of quantum
matter interesting both for fundamental condensed matter physics and material
science[1-11]. Many of Heusler compounds with C1b structure are ternary
semiconductors which are structurally and electronically related to the binary
semiconductors. The diversity of Heusler materials opens wide possibilities for
tuning the band gap and setting the desired band inversion by choosing
compounds with appropriate hybridization strength (by lattice parameter) and
the magnitude of spin-orbit coupling (by the atomic charge). Based on the
first-principle calculations we demonstrate that around fifty Heusler compounds
show the band inversion similar to HgTe. The topological state in these
zero-gap semiconductors can be created by applying strain or by designing an
appropriate quantum well structure, similar to the case of HgTe. Many of these
ternary zero-gap semiconductors (LnAuPb, LnPdBi, LnPtSb and LnPtBi) contain the
rare earth element Ln which can realize additional properties ranging from
superconductivity (e. g. LaPtBi[12]) to magnetism (e. g. GdPtBi[13]) and
heavy-fermion behavior (e. g. YbPtBi[14]). These properties can open new
research directions in realizing the quantized anomalous Hall effect and
topological superconductors.Comment: 20 pages, 5 figure
Lower respiratory tract infection and rapid expansion of an abdominal aortic aneurysm: a case report
<p>Abstract</p> <p>Introduction</p> <p>The rate of abdominal aortic aneurysm expansion is related to multiple factors. There is some evidence that inflammation can accelerate aneurysm expansion. However, the association between pulmonary sepsis and rapid abdominal aortic aneurysm expansion is rarely reported.</p> <p>Case presentation</p> <p>Here we present a case of a rapidly expanding abdominal aortic aneurysm in a 68-year-old Caucasian man with a concomitant lower respiratory tract infection and systemic sepsis requiring intensive monitoring and urgent endovascular intervention. Our patient had an uncomplicated post-operative recovery and a follow-up computed tomography scan at one month demonstrated no evidence of an endoleak.</p> <p>Conclusion</p> <p>This case highlights the potential association between pulmonary sepsis and rapid abdominal aortic aneurysm expansion. In such cases, a policy of frequent monitoring should be adopted to identify those patients requiring definitive management.</p
Necessity of 'two time zones: 1ST-I (UTC+5: 30 h) and 1ST-II (UTC+6: 30 h)' in India and its implementation
A strong demand of a separate time zone by northeast populace has been a matter of great debate for a very long period. However, no implementable solution to this genuine problem has yet been proposed. The CSIR-National Physical Laboratory, CSIR-NPL (the National Measurement Institute, NMI, of India and custodian of Indian Standard Time, 1ST) proposes an implementable solution that puts the country in two time zones: (1) IST-I (UTC + 5 : 30 h, represented by longitude passing through 82 degrees 33E) covering the regions falling between longitude 68 degrees 7 E and 89 degrees 52 E and (ii) IST-II (UTC + 6 : 30 h, represented by longitude passing through 97 degrees 30 E) encompassing the regions between 89 degrees 52 E and 97 degrees 25 E. The proposed demarcation line between IST-I and IST-II, falling at longitude 89 degrees 52 E, is derived from analyses of synchronizing the circadian clocks to normal office hours (9 : 00 a.m. to 5 : 30 p.m.). This demarcation line passes through the border of West Bengal and Assam and has a narrow spatial extension, which makes it easier to implement from the railways point of view. Once approved, the implementation would require establishment of a laboratory for 'Primary Time Ensemble - II' generating IST-II in any of the north-eastern states, which would be equivalent to the existing 'Primary Time Ensemble-I' at CSIR-NPL, New Delhi
First principles electronic structure of spinel LiCr2O4: A possible half-metal?
We have employed first-principles electronic structure calculations to
examine the hypothetical (but plausible) oxide spinel, LiCr2O4 with the d^{2.5}
electronic configuration. The cell (cubic) and internal (oxygen position)
structural parameters have been obtained for this compound through structural
relaxation in the first-principles framework. Within the one-electron band
picture, we find that LiCr2O4 is magnetic, and a candidate half-metal. The
electronic structure is substantially different from the closely related and
well known rutile half-metal CrO2. In particular, we find a smaller conduction
band width in the spinel compound, perhaps as a result of the distinct topology
of the spinel crystal structure, and the reduced oxidation state. The magnetism
and half-metallicity of LiCr2O4 has been mapped in the parameter space of its
cubic crystal structure. Comparisons with superconducting LiTi2O4 (d^{0.5}),
heavy-fermion LiV2O4 (d^{1.5}) and charge-ordering LiMn2O4 (d^{3.5}) suggest
the effectiveness of a nearly-rigid band picture involving simple shifts of the
position of E_F in these very different materials. Comparisons are also made
with the electronic structure of ZnV2O4 (d^{2}), a correlated insulator that
undergoes a structural and antiferromagnetic phase transition.Comment: 9 pages, 7 Figures, version as published in PR
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