763 research outputs found
Electronic structure of superconducting gallium-doped germanium from ab-initio calculations
Using ab-initio calculations, we study the electronic structure of
gallium-doped germanium, which was found recently to be a superconductor, with
a critical temperature of 0.5 Kelvins, and a particularly low density of Cooper
pairs. The calculations of the electronic properties reveal that no sign of an
impurity band is observed, and that the Fermi level lies in the valence band of
Germanium. Moreover, the calculation of the phonon frequencies shows that a new
mode associated to the Ga atom is appearing, around 175$ cm-1.Comment: Submitted to physica status solidi - Rapid Research Letter
A First-principles Prediction of Two-Dimensional Superconductivity in Pristine B2C Single layer
Based on first-principles lattice dynamics and electron-phonon coupling
calculations, B2C sheet is predicted to be a two-dimensional (2D)
phonon-mediated superconductor with a relatively high transition temperature
(Tc). The electron-phonon coupling parameter calculated is 0.92, and it is
mainly contributed by low frequency out-of-plane phonon modes and electronic
states with a {\pi} character. When the Coulomb pseudopotential is set to 0.10,
the estimated temperature Tc is 19.2 K. To be best of our knowledge, B2C is the
first pristine 2D superconductor with a Tc higher than the boiling point of
liquid helium.Comment: accepted by Nanoscal
Structural and Superconducting Transitions in Mg_{1-x}Al_{x}B_2
From systematic ab initio calculations of the alloy system Mg_{1-x}Al_{x}B_2,
we find a strong tendency for the formation of a superstructure characterized
by Al-rich layers. We also present a simple model, based on calculated energies
and an estimate of the configurational entropy, which suggests that the alloy
has two separate concentration regimes of phase separation, with critical
points near x = 0.25 and x = 0.75. These results, together with calculations of
electronic densities of states in several ionic arrangements, give a
qualitative explanation for the observed structural instabilities, as well as
the x-dependence of the superconducting T_c for x<0.6.Comment: 4 pp./4 figs.; revisions in responce to Referee comment
Small Fermi energy and phonon anharmonicity in MgB_2 and related compounds
The remarkable anharmonicity of the E_{2g} phonon in MgB_2 has been suggested
in literature to play a primary role in its superconducting pairing. We
investigate, by means of LDA calculations, the microscopic origin of such an
anharmonicity in MgB_2, AlB_2, and in hole-doped graphite. We find that the
anharmonic character of the E_{2g} phonon is essentially driven by the small
Fermi energy of the sigma holes. We present a simple analytic model which
allows us to understand in microscopic terms the role of the small Fermi energy
and of the electronic structure. The relation between anharmonicity and
nonadiabaticity is pointed out and discussed in relation to various materials.Comment: 5 pages, 2 figures replaced with final version, accepted on Physical
Review
Compressibility and Electronic Structure of MgB2 up to 8 GPa
The lattice parameters of MgB2 up to pressures of 8 GPa were determined using
high-resolution x-ray powder diffraction in a diamond anvil cell. The bulk
modulus, B0, was determined to be 151 +-5 GPa. Both experimental and
first-principles calculations indicate nearly isotropic mechanical behavior
under pressure. This small anisotropy is in contrast to the 2 dimensional
nature of the boron pi states. The pressure dependence of the density of states
at the Fermi level and a reasonable value for the average phonon frequency
account within the context of BCS theory for the reduction of Tc under
pressure.Comment: REVTeX file. 4 pages, 4 figure
Synthetic Lethality of Chk1 Inhibition Combined with p53 and/or p21 Loss During a DNA Damage Response in Normal and Tumor Cells
Cell cycle checkpoints ensure genome integrity and are frequently compromised in human cancers. A therapeutic strategy being explored takes advantage of checkpoint defects in p53-deficient tumors in order to sensitize them to DNA-damaging agents by eliminating Chk1-mediated checkpoint responses. Using mouse models, we demonstrated that p21 is a key determinant of how cells respond to the combination of DNA damage and Chk1 inhibition (combination therapy) in normal cells as well as in tumors. Loss of p21 sensitized normal cells to the combination therapy much more than did p53 loss and the enhanced lethality was partially blocked by CDK inhibition. In addition, basal pools of p21 (p53 independent) provided p53 null cells with protection from the combination therapy. Our results uncover a novel p53-independent function for p21 in protecting cells from the lethal effects of DNA damage followed by Chk1 inhibition. As p21 levels are low in a significant fraction of colorectal tumors, they are predicted to be particularly sensitive to the combination therapy. Results reported in this study support this prediction
CD1a expression in psoriatic skin following treatment with propylthiouracil, an antithyroid thioureylene
BACKGROUND: The antithyroid thioureylenes, propylthiouracil (PTU) and methimazole (MMI), are effective in the treatment of patients with plaque psoriasis. The mechanism of action of the drugs in psoriasis is unknown. Since the drugs reduce circulating IL-12 levels in patients with Graves' hyperthyroidism, the effect of propylthiouracil on CD1a expression in psoriatic lesions was examined in biopsy samples of patients with plaque psoriasis. CD1a is a marker of differentiated skin antigen presenting cells (APC, Langerhans cells). Langerhans cells and skin monocyte/macrophages are the source of IL-12, a key cytokine involved in the events that lead to formation of the psoriatic plaque. METHODS: Biopsy specimens were obtained from six patients with plaque psoriasis who were treated with 300 mg propylthiouracil (PTU) daily for three months. Clinical response to PTU as assessed by PASI scores, histological changes after treatment, and CD1a expression in lesional skin before and after treatment were studied. RESULTS: Despite significant improvement in clinical and histological parameters the expression of CD1a staining cells in the epidermis did not decline with propylthiouracil treatment. CONCLUSIONS: It appears that the beneficial effect of propylthiouracil in psoriasis is mediated by mechanisms other than by depletion of skin antigen-presenting cells
Tracing magnetism and pairing in FeTe-based systems
In order to examine the interplay between magnetism and superconductivity, we
monitor the non- superconducting chalcogenide FeTe and follow its transitions
under insertion of oxygen, doping with Se and vacancies of Fe using
spin-polarized band structure methods (LSDA with GGA) starting from the
collinear and bicollinear magnetic arrangements. We use a supercell of Fe8Te8
as our starting point so that it can capture local changes in magnetic moments.
The calculated values of magnetic moments agree well with available
experimental data while oxygen insertions lead to significant changes in the
bicollinear or collinear magnetic moments. The total energies of these systems
indicate that the collinear-derived structure is the more favorable one prior
to a possible superconducting transition. Using a 8-site Betts-cluster-based
lattice and the Hubbard model, we show why this structure favors electron or
hole pairing and provides clues to a common understanding of charge and spin
pairing in the cuprates, pnictides and chalcogenides
Ab initio calculations of the physical properties of transition metal carbides and nitrides and possible routes to high-Tc
Ab initio linear-response calculations are reported of the phonon spectra and
the electron-phonon interaction for several transition metal carbides and
nitrides in a NaCl-type structure. For NbC, the kinetic, optical, and
superconducting properties are calculated in detail at various pressures and
the normal-pressure results are found to well agree with the experiment.
Factors accounting for the relatively low critical temperatures Tc in
transition metal compounds with light elements are considered and the possible
ways of increasing Tc are discussed.Comment: 19 pages, 7 figure
Transformation of spin information into large electrical signals via carbon nanotubes
Spin electronics (spintronics) exploits the magnetic nature of the electron,
and is commercially exploited in the spin valves of disc-drive read heads.
There is currently widespread interest in using industrially relevant
semiconductors in new types of spintronic devices based on the manipulation of
spins injected into a semiconducting channel between a spin-polarized source
and drain. However, the transformation of spin information into large
electrical signals is limited by spin relaxation such that the magnetoresistive
signals are below 1%. We overcome this long standing problem in spintronics by
demonstrating large magnetoresistance effects of 61% at 5 K in devices where
the non-magnetic channel is a multiwall carbon nanotube that spans a 1.5 micron
gap between epitaxial electrodes of the highly spin polarized manganite
La0.7Sr0.3MnO3. This improvement arises because the spin lifetime in nanotubes
is long due the small spin-orbit coupling of carbon, because the high nanotube
Fermi velocity permits the carrier dwell time to not significantly exceed this
spin lifetime, because the manganite remains highly spin polarized up to the
manganite-nanotube interface, and because the interfacial barrier is of an
appropriate height. We support these latter statements regarding the interface
using density functional theory calculations. The success of our experiments
with such chemically and geometrically different materials should inspire
adventure in materials selection for some future spintronicsComment: Content highly modified. New title, text, conclusions, figures and
references. New author include
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