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20 Apr 2009

Volume 94, Issue 16, Articles (16xxxx)

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Appl. Phys. Lett. 94, 161105 (2009); http://dx.doi.org/10.1063/1.3119666 (3 pages)

Artur R. Davoyan, Ilya V. Shadrivov, Andrey A. Sukhorukov, and Yuri S. Kivshar
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Ab initio calculations of elastic properties of Ru1−xNixAl superalloys

I. D. Bleskov, E. A. Smirnova, Yu. Kh. Vekilov, P. A. Korzhavyi, B. Johansson, M. Katsnelson, L. Vitos, I. A. Abrikosov, and E. I. Isaev

Appl. Phys. Lett. 94, 161901 (2009); http://dx.doi.org/10.1063/1.3120543 (3 pages) | Cited 6 times

Online Publication Date: 20 April 2009

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Ab initio total energy calculations based on the exact muffin-tin orbitals method, combined with the coherent potential approximation, have been used to study the thermodynamical and elastic properties of substitutional refractory Ru1−xNixAl alloys. We have found that the elastic constants C′ and C11 exhibit pronounced peculiarities near the concentration of about 40 at. % Ni, which we ascribe to electronic topological transitions. Our suggestion is supported by the Fermi surface calculations in the whole concentration range. Results of our calculations show that one can design Ru–Ni–Al alloys substituting Ru by Ni (up to 40 at. %) with almost invariable elastic constants and reduced density.
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71.15.Nc Total energy and cohesive energy calculations
71.18.+y Fermi surface: calculations and measurements; effective mass, g factor
62.20.dq Other elastic constants

Doping and characterization of boron atoms in nanocrystalline silicon particles

Keisuke Sato, Naoki Fukata, and Kenji Hirakuri

Appl. Phys. Lett. 94, 161902 (2009); http://dx.doi.org/10.1063/1.3120768 (3 pages) | Cited 9 times

Online Publication Date: 20 April 2009

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Boron (B) doping into nanocrystalline-silicon (nc-Si) particles was achieved by cosputtering of Si chips/B chips/silica disk targets and subsequent annealing at 1100 °C. The average diameter of B-doped particles was less than 4.3 nm, and the content of B was about 14.3 at. %. The observation of EELS spectrum of B-K edge and x-ray photoelectron spectroscopy spectra of B 1s, and that of B local vibrational peaks and the Fano effect by micro-Raman scattering measurements clearly demonstrate that B atoms were doped and electrically activated in the particles, indicating the formation of electrically active p-type nc-Si particles.
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61.72.U- Doping and impurity implantation
61.72.Cc Kinetics of defect formation and annealing
82.80.Pv Electron spectroscopy (X-ray photoelectron (XPS), Auger electron spectroscopy (AES), etc.)
81.07.Bc Nanocrystalline materials
82.45.Yz Nanostructured materials in electrochemistry
61.46.Df Structure of nanocrystals and nanoparticles ("colloidal" quantum dots but not gate-isolated embedded quantum dots)

Migration of species in a prototype diffusion barrier: Cu, O, and H in TiN

L. Tsetseris, S. Logothetidis, and S. T. Pantelides

Appl. Phys. Lett. 94, 161903 (2009); http://dx.doi.org/10.1063/1.3122344 (3 pages) | Cited 5 times

Online Publication Date: 20 April 2009

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Experimental data on the migration of Cu impurities in TiN and in similar diffusion-barriers used in electronic devices have led to conflicting suggestions about the underlying physical mechanisms. Here we use results of first-principles calculations, which are in agreement with measured activations energies, to elucidate the atomic-scale processes of moderate and rapid diffusion of Cu through the bulk and intergrain voids of TiN films, respectively. We also find that O and H impurities are fast diffusers in TiN. The results offer an assessment for the efficiency of TiN diffusion-barriers with respect to properties, such as nature of impurities, stoichiometry, and crystallinity.
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66.30.Ny Chemical interdiffusion; diffusion barriers
66.30.Lw Diffusion of other defects
61.72.sh Impurity distribution
61.72.Qq Microscopic defects (voids, inclusions, etc.)
61.66.Bi Elemental solids
61.66.Dk Alloys

Splitting of transmission peak due to the hole symmetry breaking

Xiao-gang Yin, Cheng-ping Huang, Zhi-qiang Shen, Qian-jin Wang, and Yong-yuan Zhu

Appl. Phys. Lett. 94, 161904 (2009); http://dx.doi.org/10.1063/1.3111162 (3 pages) | Cited 6 times

Online Publication Date: 20 April 2009

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We studied experimentally and theoretically the optical transmission through asymmetrical holes of a metal film, which is constructed by introducing small protuberances to the sides of individual square holes. Due to the symmetry breaking of the hole shape, an interesting transmission feature appears: both the Ag-glass (1, 0) and Ag-glass (1, 1) peaks split distinctly. Detailed studies indicate that the peak splitting is actually associated with the two asymmetrical waveguide surface-plasmon (WSP) modes confined on the surface of opposite hole walls. The finding demonstrates the crucial role of WSP modes and enriches our understanding of the phenomenon.
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78.66.Bz Metals and metallic alloys
73.20.Mf Collective excitations (including excitons, polarons, plasmons and other charge-density excitations)
78.20.Ci Optical constants (including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity)
68.55.-a Thin film structure and morphology

Spin-charge-lattice coupling through resonant multimagnon excitations in multiferroic BiFeO3

M. O. Ramirez, A. Kumar, S. A. Denev, Y. H. Chu, J. Seidel, L. W. Martin, S.-Y. Yang, R. C. Rai, X. S. Xue, J. F. Ihlefeld, N. J. Podraza, E. Saiz, S. Lee, J. Klug, S. W. Cheong, et al.

Appl. Phys. Lett. 94, 161905 (2009); http://dx.doi.org/10.1063/1.3118576 (3 pages) | Cited 10 times

Online Publication Date: 21 April 2009

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Spin-charge-lattice coupling mediated by multimagnon processes is demonstrated in multiferroic BiFeO3. Experimental evidence of two- and three-magnon excitations as well as multimagnon coupling at electronic energy scales and high temperatures are reported. Temperature dependent Raman experiments show up to five resonant enhancements of the two-magnon excitation below the Néel temperature. These are shown to be collective interactions between on-site Fe d-d electronic resonance, phonons, and multimagnons.
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77.80.B- Phase transitions and Curie point
63.20.kk Phonon interactions with other quasiparticles
75.30.Kz Magnetic phase boundaries (including classical and quantum magnetic transitions, metamagnetism, etc.)
78.30.Hv Other nonmetallic inorganics

Selective area wavelength tuning of InAs/GaAs quantum dots obtained by TiO2 and SiO2 layer patterning

H. S. Lee, A. Rastelli, S. Kiravittaya, P. Atkinson, C. C. Bof Bufon, I. Mönch, and O. G. Schmidt

Appl. Phys. Lett. 94, 161906 (2009); http://dx.doi.org/10.1063/1.3120229 (3 pages) | Cited 4 times

Online Publication Date: 22 April 2009

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Selective area wavelength tuning of InAs quantum dots (QDs) in GaAs matrix is achieved by patterning TiO2 and SiO2 layers on the sample surface followed by rapid thermal processing. After heat treatment, the QD emission under the SiO2 capped areas shows pronounced blueshifts compared with regions capped with TiO2/SiO2, where interdiffusion is strongly suppressed. Finite element calculations of the strain generated by the different thermal expansion coefficients of GaAs, SiO2, and TiO2 at high temperature are used to interpret the results. This method may provide a simple route to achieve monolithic integration of optoelectronic devices based on QDs.
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73.21.La Quantum dots
66.30.Pa Diffusion in nanoscale solids
81.07.Ta Quantum dots
66.30.Ny Chemical interdiffusion; diffusion barriers
78.67.Hc Quantum dots
78.55.Cr III-V semiconductors
65.40.De Thermal expansion; thermomechanical effects
65.80.-g Thermal properties of small particles, nanocrystals, nanotubes, and other related systems

In-plane anisotropy of polarized photoluminescence in M-plane (10math0) ZnO and MgZnO/ZnO multiple quantum wells

Hiroaki Matsui and Hitoshi Tabata

Appl. Phys. Lett. 94, 161907 (2009); http://dx.doi.org/10.1063/1.3124243 (3 pages) | Cited 13 times

Online Publication Date: 22 April 2009

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Highly polarized photoluminescence (PL) from M-plane ZnO layers and MgZnO/ZnO quantum wells (QWs) grown on ZnO substrates were observed. The energy difference between PL peaks of E⊥c and E∥c corresponded to that between A- and C-excitonic transitions. The polarization degree (P = 0.43) at 300 K in QWs was slightly low due to confinement-induced admixture of the Pz orbital to A-excitonic states compared with the ZnO layers (P = 0.49). Furthermore, layers with anisotropic compressive strains also showed high polarization anisotropy (P = 0.55) at 300 K due to bounded excitonic emissions that reflected the selection rule.
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78.67.De Quantum wells
78.55.Et II-VI semiconductors
73.21.Fg Quantum wells
71.35.-y Excitons and related phenomena

Theoretical prediction of shape memory behavior and ferrimagnetism in Mn2NiIn

Aparna Chakrabarti and S. R. Barman

Appl. Phys. Lett. 94, 161908 (2009); http://dx.doi.org/10.1063/1.3116618 (3 pages) | Cited 17 times

Online Publication Date: 23 April 2009

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Using density functional theory, we show that in Mn2NiIn a phase transition from cubic to tetragonal structure results in a lowering of the total energy, indicating occurrence of martensitic phase transition. The structural phase transition is nearly volume conserving, which is a characteristic of a shape memory alloy. The magnetic ground state is ferrimagnetic with antiparallel Mn spin moments and the total spin magnetization is 0.51μB in the martensitic phase. Thus, we predict that Mn2NiIn would behave like a magnetic shape memory alloy. The electronic structure and magnetic properties are explained by the spin polarized density of states.
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81.30.Kf Martensitic transformations
64.70.kd Metals and alloys
75.50.Gg Ferrimagnetics
71.20.Gj Other metals and alloys
75.30.Kz Magnetic phase boundaries (including classical and quantum magnetic transitions, metamagnetism, etc.)
75.60.Ej Magnetization curves, hysteresis, Barkhausen and related effects

Analysis of wave propagation and localization in periodic/disordered layered composite structures by a mass-spring model

Zhi-Zhong Yan, Chuanzeng Zhang, and Yue-Sheng Wang

Appl. Phys. Lett. 94, 161909 (2009); http://dx.doi.org/10.1063/1.3119206 (3 pages) | Cited 4 times

Online Publication Date: 23 April 2009

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The band structure and the displacement field of elastic waves in periodic/disordered layered composite structures of finite width are investigated by a simple mass-spring model. In the case of comparable stiffness, the density contrast plays a dominant role for the center layer disorder to obtain localized wave modes within the band gap. On the other hand, in the case of comparable density contrast, the number and the position of the localized modes can be adjusted by changing the stiffness of the center layer. Compared to the soft and nearly cracked disorders situated between two layers with a lower density, the band structure and the displacement are quite different from the case between two layers with a higher density.
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62.30.+d Mechanical and elastic waves; vibrations
71.20.-b Electron density of states and band structure of crystalline solids
81.40.Jj Elasticity and anelasticity, stress-strain relations
62.20.dq Other elastic constants
71.23.An Theories and models; localized states
81.40.Np Fatigue, corrosion fatigue, embrittlement, cracking, fracture, and failure
62.20.mt Cracks
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