Electrical Switching in Metallic Carbon Nanotubes

We present first-principles calculations of quantum transport which show that the resistance of metallic carbon nanotubes can be changed dramatically with homogeneous transverse electric fields if the nanotubes have impurities or defects. The change of the resistance is predicted to range over more than two orders of magnitude with experimentally attainable electric fields. This novel property has its origin that backscattering of conduction electrons by impurities or defects in the nanotubes is strongly dependent on the strength and/or direction of the applied electric fields. We expect this property to open a path to new device applications of metallic carbon nanotubes.Comment: 4 pages and 4 figure

Magnetic Quantum Dot: A Magnetic Transmission Barrier and Resonator

We study the ballistic edge-channel transport in quantum wires with a magnetic quantum dot, which is formed by two different magnetic fields B^* and B_0 inside and outside the dot, respectively. We find that the electron states located near the dot and the scattering of edge channels by the dot strongly depend on whether B^* is parallel or antiparallel to B_0. For parallel fields, two-terminal conductance as a function of channel energy is quantized except for resonances, while, for antiparallel fields, it is not quantized and all channels can be completely reflected in some energy ranges. All these features are attributed to the characteristic magnetic confinements caused by nonuniform fields.Comment: 4 pages, 4 figures, to be published in Physical Review Letter

Exact zero-point energy shift in the e⊗(n E)e\otimes (n~E), t⊗(n H)t\otimes (n~H) many modes dynamic Jahn-Teller systems at strong coupling

We find the exact semiclassical (strong coupling) zero-point energy shifts applicable to the $e\otimes (n E)$ and $t\otimes (n H)$ dynamic Jahn-Teller problems, for an arbitrary number $n$ of discrete vibrational modes simultaneously coupled to one single electronic level. We also obtain an analytical formula for the frequency of the resulting normal modes, which has an attractive and apparently general Slater-Koster form. The limits of validity of this approach are assessed by comparison with O'Brien's previous effective-mode approach, and with accurate numerical diagonalizations. Numerical values obtained for $t\otimes (n H)$ with $n =8$ and coupling constants appropriate to C$_{60}^-$ are used for this purpose, and are discussed in the context of fullerene.Comment: 20 pages, 4 ps figure

Ab initio Pseudopotential Plane-wave Calculations of the Electronic Structure of YBa_2Cu_3O_7

We present an ab initio pseudopotential local density functional calculation for stoichiometric high-Tc cuprate YBa_2Cu_3O_7 using the plane-wave basis set. We have overcome well-known difficulties in applying pseudopotential methods to first-row elements, transition metals, and rare-earth materials by carefully generating norm-conserving pseudopotentials with excellent transferability and employing an extremely efficient iterative diagonalization scheme optimized for our purpose. The self-consistent band structures, the total and site-projected densities of states, the partial charges and their symmetry-decompositions, and some characteristic charge densities near E_f are presented. We compare our results with various existing (F)LAPW and (F)LMTO calculations and establish that the ab initio pseudopotential method is competitive with other methods in studying the electronic structure of such complicated materials as high-Tc cuprates. [8 postscript files in uuencoded compressed form]Comment: 14 pages, RevTeX v3.0, 8 figures (appended in postscript file), SNUTP 94-8

Ferromagnetism in Mn doped GaAs due to substitutional-interstitial complexes

While most calculations on the properties of the ferromagnetic semiconductor GaAs:Mn have focussed on isolated Mn substituting the Ga site (Mn$_{Ga}$), we investigate here whether alternate lattice sites are favored and what the magnetic consequences of this might be. Under As-rich (Ga-poor) conditions prevalent at growth, we find that the formation energies are lower for Mn$_{Ga}$ over interstitial Mn (Mn$_i$).As the Fermi energy is shifted towards the valence band maximum via external $p$-doping, the formation energy of Mn$_i$ is reduced relative to Mn$_{Ga}$. Furthermore, under epitaxial growth conditions, the solubility of both substitutional and interstitial Mn are strongly enhanced over what is possible under bulk growth conditions. The high concentration of Mn attained under epitaxial growth of p-type material opens the possibility of Mn atoms forming small clusters. We consider various types of clusters, including the Coulomb-stabilized clusters involving two Mn$_{Ga}$ and one Mn$_i$. While isolated Mn$_i$ are hole killers (donors), and therefore destroy ferromagnetism,complexes such as Mn$_{Ga}$-Mn$_i$-Mn$_{Ga}$) are found to be more stable than complexes involving Mn$_{Ga}$-Mn$_{Ga}$-Mn$_{Ga}$. The former complexes exhibit partial or total quenching of holes, yet Mn$_i$ in these complexes provide a channel for a ferromagnetic arrangement of the spins on the two Mn$_{Ga}$ within the complex. This suggests that ferromagnetism in Mn doped GaAs arises both from holes due to isolated Mn$_{Ga}$ as well as from strongly Coulomb stabilized Mn$_{Ga}$-Mn$_i$-Mn$_{Ga}$ clusters.Comment: 7 figure

Direct observation of localized defect states in semiconductor nanotube junctions

Scanning tunneling microscopy of semiconductor-semiconductor carbon nanotube junctions with different band gaps was studied. Characteristic features of the wave functions at different energy levels were exhibited in the atomically resolved scanning tunneling microscopy. The experimental observations in terms of the pentagon-heptagon defects in the junction were interpreted.open888

Calculations of the A_1 phonon frequency in photoexcited Tellurium

Calculations of the A_1 phonon frequency in photoexcited tellurium are presented. The phonon frequency as a function of photoexcited carrier density and phonon amplitude is determined. Recent pump probe experiments are interpreted in the light of these calculatons. It is proposed that, in conjunction with measurements of the phonon period in ultra-fast pump-probe reflectivity experiments, the calculated frequency shifts can be used to infer the evolution of the density of photoexcited carriers on a sub-picosecond time-scale.Comment: 15 pages Latex, 3 postscript figure

Electronic and structural properties of vacancies on and below the GaP(110) surface

We have performed total-energy density-functional calculations using first-principles pseudopotentials to determine the atomic and electronic structure of neutral surface and subsurface vacancies at the GaP(110) surface. The cation as well as the anion surface vacancy show a pronounced inward relaxation of the three nearest neighbor atoms towards the vacancy while the surface point-group symmetry is maintained. For both types of vacancies we find a singly occupied level at mid gap. Subsurface vacancies below the second layer display essentially the same properties as bulk defects. Our results for vacancies in the second layer show features not observed for either surface or bulk vacancies: Large relaxations occur and both defects are unstable against the formation of antisite vacancy complexes. Simulating scanning tunneling microscope pictures of the different vacancies we find excellent agreement with experimental data for the surface vacancies and predict the signatures of subsurface vacancies.Comment: 10 pages, 6 figures, Submitted to Phys. Rev. B, Other related publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm

Searching for Gravitational Waves from the Inspiral of Precessing Binary Systems: Astrophysical Expectations and Detection Efficiency of "Spiky'' Templates

Relativistic spin-orbit and spin-spin couplings has been shown to modify the gravitational waveforms expected from inspiraling binaries with a black hole and a neutron star. As a result inspiral signals may be missed due to significant losses in signal-to-noise ratio, if precession effects are ignored in gravitational-wave searches. We examine the sensitivity of the anticipated loss of signal-to-noise ratio on two factors: the accuracy of the precessing waveforms adopted as the true signals and the expected distributions of spin-orbit tilt angles, given the current understanding of their physical origin. We find that the results obtained using signals generated by approximate techniques are in good agreement with the ones obtained by integrating the 2PN equations. This shows that a complete account of all high-order post-Newtonian effects is usually not necessary for the determination of detection efficiencies. Based on our current astrophysical expectations, large tilt angles are not favored and as a result the decrease in detection rate varies rather slowly with respect to the black hole spin magnitude and is within 20--30% of the maximum possible values.Comment: 7 fig., accepted by Phys. Rev. D Minor modification

Thermal and Tunneling Pair Creation of Quasiparticles in Quantum Hall Systems

We make a semiclassical analysis of thermal pair creations of quasiparticles at various filling factors in quantum Hall systems. It is argued that the gap energy is reduced considerably by the Coulomb potential made by impurities. It is also shown that a tunneling process becomes important at low temperature and at strong magnetic field. We fit typical experimental data excellently based on our semiclassical results of the gap energy.Comment: 6 pages, 6 PS figures, to be published in Phys.Rev.