920 research outputs found
Electrochemical fabrication of ultralow noise metallic nanowires with hcp crystalline lattice
We experimentally demonstrate that low-frequency electrical noise in silver
nanowires is heavily suppressed when the crystal structure of the nanowires is
hexagonal closed pack (hcp) rather than face centered cubic (fcc). Using a
low-potential electrochemical method we have grown single crystalline silver
nanowires with hcp crystal structure, in which the noise at room temperature is
two to six orders of magnitude lower than that in the conventional fcc
nanowires of the same diameter. We suggest that motion of dislocations is
probably the primary source of electrical noise in metallic nanowires, which is
strongly diminished in hcp crystals.Comment: 7 pages, 4 figure
Nanotube Piezoelectricity
We combine ab initio, tight-binding methods and analytical theory to study
piezoelectric effect of boron nitride nanotubes. We find that piezoelectricity
of a heteropolar nanotube depends on its chirality and diameter and can be
understood starting from the piezoelectric response of an isolated planar
sheet, along with a structure specific mapping from the sheet onto the tube
surface. We demonstrate that coupling between the uniaxial and shear
deformation are only allowed in the nanotubes with lower chiral symmetry. Our
study shows that piezoelectricity of nanotubes is fundamentally different from
its counterpart in three dimensional (3D) bulk materials.Comment: 4 pages, with 3 postscript figures embedded. Uses REVTEX4 macros.
Also available at
http://www.physics.upenn.edu/~nsai/preprints/bn_piezo/index.htm
Theory of structural response to macroscopic electric fields in ferroelectric systems
We have developed and implemented a formalism for computing the structural
response of a periodic insulating system to a homogeneous static electric field
within density-functional perturbation theory (DFPT). We consider the
thermodynamic potentials E(R,eta,e) and F(R,eta,e) whose minimization with
respect to the internal structural parameters R and unit cell strain eta yields
the equilibrium structure at fixed electric field e and polarization P,
respectively. First-order expansion of E(R,eta,e) in e leads to a useful
approximation in which R(P) and eta(P) can be obtained by simply minimizing the
zero-field internal energy with respect to structural coordinates subject to
the constraint of a fixed spontaneous polarization P. To facilitate this
minimization, we formulate a modified DFPT scheme such that the computed
derivatives of the polarization are consistent with the discretized form of the
Berry-phase expression. We then describe the application of this approach to
several problems associated with bulk and short-period superlattice structures
of ferroelectric materials such as BaTiO3 and PbTiO3. These include the effects
of compositionally broken inversion symmetry, the equilibrium structure for
high values of polarization, field-induced structural phase transitions, and
the lattice contributions to the linear and the non-linear dielectric
constants.Comment: 19 pages, with 15 postscript figures embedded. Uses REVTEX4 and epsf
macros. Also available at
http://www.physics.rutgers.edu/~dhv/preprints/sai_pol/index.htm
Structural and dielectric properties of SrTiO from first principles
We have investigated the structural and dielectric properties of
SrTiO,the first member of the SrTiO
Ruddlesden-Popper series, within density functional theory. Motivated by recent
work in which thin films of SrTiO were grown by molecular beam
epitaxy (MBE) on SrTiO substrates, the in-plane lattice parameter was
fixed to the theoretically optimized lattice constant of cubic SrTiO
(n=), while the out-of-plane lattice parameter and the internal
structural parameters were relaxed. The fully relaxed structure was also
investigated. Density functional perturbation theory was used to calculate the
zone-center phonon frequencies, Born effective charges, and the electronic
dielectric permittivity tensor. A detailed study of the contribution of
individual infrared-active modes to the static dielectric permittivity tensor
was performed. The calculated Raman and infrared phonon frequencies were found
to be in agreement with experiment where available. Comparisons of the
calculated static dielectric permittivity with experiments on both ceramic
powders and epitaxial thin films are discussed.Comment: 11 pages, 1 figure, 8 tables, submitted to Phys. Rev.
Quasi-periodic oscillations in GX 339-4 during the 2021 Outburst observed with Insight-HXMT
A new outburst of GX 3394 in 2021 was monitored by the Hard X-ray
Modulation Telescope (\textit{Insight}-HXMT). By using the data of
\textit{Insight}-HXMT from February to March 2021, we make the X-ray timing
analysis of this new outburst. Based on the results of count rates,
hardness-intensity diagram (HID) and power density spectrum (PDS), we confirm
that the source exhibits spectral transitions from the low-hard state (LHS) to
the hard-intermediate state (HIMS). During the transition from the LHS to the
HIMS, Low-frequency Quasi-periodic oscillations (LFQPOs) are detected in the
PDS. We found that these QPOs are all type-C QPOs with centroid frequencies
evolving from Hz in the LHS and in the Hz frequency range in
HIMS. The QPO features above 50 keV are reported for the first time in this
black hole by \textit{Insight}-HXMT. The QPO rms stays stable with time but
decreases with energy at higher energy above keV. We also find that
the phase lag of the type-C QPO is close to zero in the early outburst stage,
but becomes positive as the outburst evolves, with a hard lag of 0.6-1.2
rad in keV. The implications of the phase lag in high energy bands
and possible physical mechanisms to explain those observations are also
discussed.Comment: 15 pages, ApJ in pres
The quality of life of patients developed delirium after coronary artery bypass grafting is determined by cognitive function after discharge: A cross-sectional study
Anomalous enhancement of tetragonality in PbTiO3 induced by negative pressure
Using a first-principles approach based on density-functional theory, we find
that a large tetragonal strain can be induced in PbTiO3 by application of a
negative hydrostatic pressure. The structural parameters and the dielectric and
dynamical properties are found to change abruptly near a crossover pressure,
displaying a ``kinky'' behavior suggestive of proximity to a phase transition.
Analogous calculations for BaTiO3 show that the same effect is also present
there, but at much higher negative pressure. We investigate this unexpected
behavior of PbTiO3 and discuss an interpretation involving a phenomenological
description in terms of a reduced set of relevant degrees of freedom.Comment: 9 pages, with 9 postscript figures embedded. Uses REVTEX and epsf
macros. Also available at
http://www.physics.rutgers.edu/~dhv/preprints/st_pbti/index.htm
Boron Nitride Monolayer: A Strain-Tunable Nanosensor
The influence of triaxial in-plane strain on the electronic properties of a
hexagonal boron-nitride sheet is investigated using density functional theory.
Different from graphene, the triaxial strain localizes the molecular orbitals
of the boron-nitride flake in its center depending on the direction of the
applied strain. The proposed technique for localizing the molecular orbitals
that are close to the Fermi level in the center of boron nitride flakes can be
used to actualize engineered nanosensors, for instance, to selectively detect
gas molecules. We show that the central part of the strained flake adsorbs
polar molecules more strongly as compared with an unstrained sheet.Comment: 20 pages, 9 figure
Nickel-Catalyzed Carbon–Carbon Bond-Forming Reactions of Unactivated Tertiary Alkyl Halides: Suzuki Arylations
The first Suzuki cross-couplings of unactivated tertiary alkyl electrophiles are described. The method employs a readily accessible catalyst (NiBr[subscript 2]·diglyme/4,4′-di-tert-butyl-2,2′-bipyridine, both commercially available) and represents the initial example of the use of a group 10 catalyst to cross-couple unactivated tertiary electrophiles to form C–C bonds. This approach to the synthesis of all-carbon quaternary carbon centers does not suffer from isomerization of the alkyl group, in contrast with the umpolung strategy for this bond construction (cross-coupling of a tertiary alkylmetal with an aryl electrophile). Preliminary mechanistic studies are consistent with the generation of a radical intermediate along the reaction pathway.National Institute of General Medical Sciences (U.S.) (R01-GM62871)Merck Research Laboratories (Summer Fellowship
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