Nanoindentation hardness measurements using real-shape indenters: application to extremely hard and elastic materials

We study the technique of nanoindentation hardness measurement applied to extremely hard and elastic thin films. We do the study with the aid of Hertz’s solutions for elastic contacts. The effect of different apical angles in ideally sharp conical diamond indenters is analyzed. In addition, the blunt tip shape of practical diamond indenters is discussed. The area function of the tip of real indenters is deduced from experimental nanoindentation measurements performed with these indenters on fused quartz. Triangular-base pyramidal indenters with Berkovich and cube corner geometries are considered. Theoretical hardness values applying Hertz’s and Oliver and Pharr’s methods of analysis are obtained and compared with the experimental data deduced from nanoindentation measurements performed on very hard and elastic ta-C films. The theoretical analysis shows a necessary dependence of the calculated hardness values with the apical angle of the indenter in totally elastic materials and to some extent in elastoplastic materials. Moreover, when the indenter tip is blunt or when there are inaccuracies in the measured area function of the indenter tip, hardness values decrease for very small penetration depths. Besides, in these films, because of their very small thickness, measured hardness values also decrease for measurements with penetration depths larger than a fraction of film thickness, due to the effects of the softer substrate. Received: 13 June 2000 / Accepted: 21 June 2000 / Published online: 5 October 2000     

Surfactant-mediated growth of Si1-xSnx layers by molecular-beam epitaxy

1-x Sn_x (0.01≤x≤0.04) layers on Si(001) and relaxed Si-Ge substrates. The Si_1-xSn_x layers were investigated using Rutherford backscattering spectrometry, atomic force microscopy, transmission electron microscopy and preferential-etching experiments. The investigation of surfactant-mediated growth of epitaxial Si_1-xSn_x was motivated by a possible use of relatively higher growth temperatures without relaxation by surface precipitation. It is demonstrated that higher growth temperatures are attainable when Bi is used as surfactant if the surface-segregated Sn layer is relatively small, equivalent to Si_1-xSn_x layers of low strain. The increase in growth temperature leads to a significant improvement in the crystalline quality of these Si_1-xSn_x layers. Received: 4 December 1998/Accepted: 9 December 1998     

Strain relaxation at cleaved surfaces studied by atomic force microscopy

Atomic force microscopy (AFM) in air is used to study the (110) cleaved surface of strained (100) In_xGa_1-xAs/ InP heterostructures for different compositions and thicknesses of the ternary compound layers. We find that the elastic strain relaxation induces a surface undulation of a few ? amplitude, even for very small misfits, provided the layers are thick enough. Using finite-element calculations of the strain relaxation near the cleaved edge, we reproduce quantitatively the AFM observations for compressive- as well as for tensile-strained layers with an accuracy better than 0.1 nm. This demonstrates the ability of AFM to quantify strain distributions by making use of surface profile measurements. Received: 9 November 1998 / Accepted: 11 March 1999 / Published online: 7 July 1999     

A method for the experimental determination of the net atomic charge via X-ray photoemission spectroscopy

A method for the experimental determination of the net charge distribution over the atoms in a large class of compounds is described. The method is based on X-ray photoemission spectroscopy and requires the determination of two core-level energies per constituting atomic species. Two special cases of large conceptual and practical interest are discussed: the silicon charge in CoSi₂, Si_1-xGe_x (0≤x≤0.3), SiC, Si₃N₄ and SiO₂, and the aluminum charge in aluminum-doped zeolites. Received: 20 March 2000 / Accepted: 28 March 2000 / Published online: 21 March 2001     

Structural and magnetic investigations of the xCuO(100-x)[70TeO2·25B2O3·5SrF2] glasses

The xCuO(100-x)[70TeO₂·25B₂O₃·5SrF₂] vitreous system was studied in the 0.3≤x≤20 mol %CuO concentration range, by means of electron paramagnetic resonance (EPR) and magnetic susceptibility measurements. At low concentrations the Cu²⁺ ions are in axially distorted octahedral symmetry units giving resonance absorptions at g≈4.3. For x≥3 mol %CuO the copper ions are mostly involved in clusters yielding resonance absorptions at g≈2.05 in the EPR spectrum. Non-magnetic Cu⁺ ions are present in samples with x>5 mol %CuO. Only dipole–dipole interactions involving the copper ions were evidenced in this glass system. Ligand field fluctuations were revealed in all investigated samples. Received: 24 August 2000 / Accepted: 17 November 2000 / Published online: 21 March 2001     

A three-wavelength Ti:sapphire femtosecond laser for use with the multi-excited photosystem II

We have constructed a three-wavelength Ti:sapphire femtosecond laser with an independent tunable wavelength (λ₁) and two variable central wavelengths (λ₂ and λ₃) for use with the multi-excited photosystem II. Stable sub-40-fs pulses are generated. The λ₁-wavelength pulses can be tuned independently from 750 nm to 850 nm. The center wavelengths λ₂ and λ₃ can be varied from 760 nm to 840 nm. Received: 14 April 2000 / Revised version: 5 September 2000 / Published online: 27 April 2001     

Elastic modulus-density relationship for amorphous boron suboxide thin films

Boron suboxide thin films have been deposited on Si(100) substrates by reactive RF magnetron sputtering of a sintered B target in an Ar/O₂ atmosphere. Elastic recoil detection analysis was applied to determine the film composition and density. Film structure was studied by X-ray diffraction and transmission electron microscopy. The elastic modulus, measured by nanoindentation, was found to decrease as the film density decreased. The relationship was affected by tuning the negative substrate bias potential and the substrate temperature during film growth. A decrease in film density, by a factor of 1.55, caused an elastic modulus reduction by a factor of 4.5, most likely due to formation of nano-pores containing Ar. It appears evident that the large scattering in the published data on elastic properties of films with identical chemical composition can readily be understood by density variations. These results are important for understanding the elastic properties of boron suboxide, but may also be qualitatively relevant for other B-based material systems. Received: 22 February 2002 / Accepted: 11 April 2002 / Published online: 10 September 2002 RID="*" ID="*"Corresponding author. Fax: +46-13/288-918, E-mail: denmu@ifm.liu.se     

Synthesis and properties of In2(Se1-xTex)3 thin films: a new semiconductor compound

In₂(Se_1-xTe_x)₃ polycrystalline films were prepared by a dual-source thermal evaporation technique. The depositions onto glass and SnO₂-coated glass substrates were carried out in a vacuum chamber and followed by an annealing in neutral ambient (Ar or N₂). The structural, morphological and compositional studies of the films were made by X-ray diffraction, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, scanning electron microscopy, Raman scattering and optical transmission. Optimum conditions are investigated for the formation of the ternary compound In₂(Se_1-xTe_x)₃ in order to tune the band gap by changing the Te concentration. The film properties as a function of Te amount are discussed. It is shown that single-phase, textured and homogeneous layers of In₂(Se_1-xTe_x)₃ can be grown with x≤0.2 at optimal deposition and heat treatment conditions. For x≅0.17 these films showed an energy band gap of about 1.45 eV and an electrical conductivity at room temperature six orders of magnitude higher than that of the binary γ-In₂Se₃ thin films. Received: 9 July 1999 / Accepted: 25 November 1999 / Published online: 13 July 2000     

Flexible ceramic–polymer composite films with temperature-insensitive and tunable dielectric permittivity

BaTiO₃–polymer composite layers have been produced by the spin-on technique (thickness 3–10 μm). The dielectric permittivity of the layers at room temperature can be tuned from 2.8 to approximately 33 by varying the ceramic filling from 0 to 60% by volume. The dielectric properties of the films are almost insensitive to temperature variations in the range 20–180 °C. Free-standing composite layers with ceramic content ≤50% are flexible without noticeable change of permittivity after repeated mechanical bending. Received: 22 November 2001 / Accepted: 24 November 2001 / Published online: 23 January 2002     

Magnetically tunable ultrasonic transducers for shear waves

Single crystal platelets of FeBO₃ are used as magnetoelastically excited shear wave transducers in the 10–100MHz region. Due to a strong dependence of the elastic stiffness on an applied magnetic dc field the resonance frequency is magnetically tunable in a region of about 25 percent around the centre frequency. A pulse-echo experiment was used to compare the conversion efficiencies of the FeBO₃ transducer and a conventional quartz transducer. The insertion losses were found to be approximately equal for both transducers and in accordance with the calculated values.     

Charge-independent effective interactions for shell-model studies in the 0g9/2-1p1/2 space

The matrix elements of the effective Hamiltonian in the 0g _9/2-1p _1/2 space are determined by a least-square fit to the energies of 477 levels of nuclei with 38≤Z≤50 and 47≤N≤50. The results of the calculation are found to be in better agreement with experiment than those obtained with previously determined interactions. Received: 31 May 2001 / Accepted: 14 June 2001     

Theoretical investigations on the elastic and thermodynamic properties of Ti2AlC0.5N0.5 solid solution

We have performed theoretical studies on the elastic and thermodynamic properties of the solid solution: Ti₂AlC_0.5N_0.5. The lattice parameters, elastic constants, bulk, shear, Young's moduli, Poisson's ratio and Debye temperature were calculated and compared with those of the end members, Ti₂AlC and Ti₂AlN. The temperature dependence of the bulk moduli, thermal expansion coefficient and specific heats of Ti₂AlC_0.5N_0.5 were obtained from the quasi-harmonic Debye model. The calculated elastic and thermodynamic properties were compared with experimental data.     

Ab initio calculations of elastic constants and thermodynamic properties of Li2O for high temperatures and pressures

The elastic constants and thermodynamic properties of Li₂O for high temperatures and pressures are calculated by the ab initio unrestricted Hartree-Fock (HF) linear combination of atomic orbital (LCAO) periodic approach. The lattice constant, elastic constants, Debye temperature, and thermal expansion coefficient obtained are in good agreement with the available experimental data and other theoretical results. It is found that at zero pressure the elastic constants C₁₁, C₁₂ and C₄₄, bulk modulus B and Debye temperature Θ_D decrease monotonically over the wide range of temperatures from 0 to 1100 K. When the temperature , C₁₂ approaches zero, consistently with the transition temperature 1200 K. However, with increasing pressure, they all increase monotonically and the anisotropy will weaken.     

Lattice mechanical properties of noble and transition metals

A model pseudopotential depending on an effective core radius but otherwise parameter free is used to study the interatomic interactions, phonon dispersion curves (inq and r-space analysis), phonon density of states, mode Grüneisen parameters, dynamical elastic constants (C ₁₁,C ₁₂ andC ₄₄), bulk modulus (B), shear modulus (C′), deviation from Cauchy relation (C ₁₂–C ₄₄), Poisson’s ratio (σ), Young’s modulus (Y), behavior of phonon frequencies in the elastic limit independent of the direction (Y ₁), limiting value in the [110] direction (Y ₂), degree of elastic anisotropy (A), maximum frequencyω _max, mean frequency 〈ω〉, 〈ω ²〉^1/2=(〈ω〉/〈ω ⁻¹〉)^1/2, fundamental frequency 〈ω ²〉, and propagation velocities of the elastic constants in Cu, Ag, Au, Ni, Pd, and Pt. The contribution of s-like electrons is calculated in the second-order perturbation theory for the model potential while that of d-like electrons is taken into account by introducing repulsive short-range Born-Mayer like term. Very recently proposed screening function due to Sarkar et al. has been used to obtain the screened form factor. The theoretical results are compared with experimental findings wherever possible. A good agreement between theoretical investigations and experimental findings has proved the ability of our model potential for predicting a large number of physical properties of transition metals.     

A first principles study of cubic IrO<Subscript>2</Subscript> polymorph

We have studied structural, thermodynamic, elastic, and electronic properties of cubic IrO₂ polymorph via ab initio calculations within the LDA and GGA approximations. Basic physical properties, such as lattice constant, bulk modulus, second-order elastic constants (C_ij), and the electronic band structures are calculated, and compared with available experimental values. We have, also, predicted the Young's modulus, Poison's ratio (ν), Anisotropy factor (A), sound velocities, and Debye temperature.     

Magnetic domain structures and magnetotransport properties in Co-Ag granular thin films

The magnetic microstructures and magnetotransport properties in granular Co_xAg_1-x films with 17%≤x≤62% were studied. Magnetic force microscopy (MFM) observations showed the presence of magnetic stripe domains in as-deposited samples with x≥45% and the evolution of the magnetic domain patterns to in-plane domains with annealing. A perpendicular magnetic anisotropy as high as about 8×10⁵ ergs/cc for as-deposited Co₆₂Ag₃₈ and about 6×10⁵ ergs/cc for as-deposited Co₄₅Ag₅₅ was observed by magnetization and torque measurements. With increasing annealing temperature, the perpendicular magnetic anisotropy became negative. The origin of the perpendicular magnetic anisotropy may be attributed to a rhombohedral distortion of the cubic cell due to residual substrate-film stresses. The magnetic stripe domains are the consequence of the interplay of the indirect or direct exchange, perpendicular magnetic anisotropy and dipolar interactions. Finally, magnetoresistance (MR) curves displayed training behaviours and different shapes when measured with different configurations (parallel, transverse and perpendicular). It is proposed that the existence and the evolution of the magnetic domain structures strongly affect the magnetotransport properties due to the extra contribution of the electron scattering at the domain walls. Furthermore, an anisotropic MR also contributes to the overall MR curves. Received: 2 March 2000 / Accepted: 28 March 2000 / Published online: 23 May 2001     

Unimolecular decay of hydrogen-bonded cluster ions

The unimolecular decay of the hydrogen-bonded phenol(H₂O)₄ ⁺ cluster ion was studied both experimentally and theoretically. The ion is formed by resonant two-color two-photon ionization of the neutral cluster. If the second color exceeds the dissociation threshold of the ion, fragmentation occurs on a microsecond time scale. By analyzing the time-of-flight (TOF) signal of the metastable ions at different excess energies the dependence of the fragmentation rate on the excess energy can be deduced. These experimental rates are compared to microcanonical decay constants k(E) calculated from Rice–Ramsperger–Kassel–Marcus (RRKM) theory based on ab initio data solely. Received: 8 March 2000 / Revised version: 28 April 2000 / Published online: 5 October 2000     

Microscopic calculations of weak interaction rates of nuclei in stellar environment for A = 18 to 100

We report here the microscopic calculation of weak interaction rates in stellar matter for 709 nuclei with A = 18 to 100 using a generalized form of proton-neutron quasiparticle RPA model with separable Gamow-Teller forces. This is the first ever extensive microscopic calculation of weak rates calculated over a wide temperature-density grid which includes 10⁷≤ T(K) ≤ 30 × 10⁹ and 10 ≤ρ Y_e (gcm⁻³) ≤ 10¹¹, and over a larger mass range. Particle emission processes from excited states, previously ignored, are taken into account, and are found to significantly affect some β decay rates. The calculated capture and decay rates take into consideration the latest experimental energy levels and ft value compilations. Our calculation of electron capture and β-decay rates, in the fp-shell, show considerable differences with a recently reported shell model diagonalization approach calculation. Received: 16 April 1999     

The f-electron contribution to the elastic property of Ce3S4

The elastic constant, C’, of Ce₃S₄ has been measured as a function of temperature. It is shown that the curve is markedly different from that of La₃S₄. Since the only basic difference between the two compounds is the existence of a f-electron in Ce, we propose a theoretical scheme in which the f-electron plays a crucial role. It is shown that the existence of the f-electron in Ce₃S₄ prevents the band Jahn–Teller type structural transition when the temperature is lowered. The theory is consistent with the experiment and also with the theoretically predicted instability of cubic f-electronelements at zero temperature. Received: 5 October 1999 / Accepted: 11 October 1999 / Published online: 24 March 2000     

Calculated elastic properties of M2AlC (M=Ti, V, Cr, Nb and Ta)

M₂AlC phases, where M is a transition metal, are layered ternary compounds that possess unusual properties. In this paper, we have calculated the elastic properties of M₂AlC, with M=Ti, V, Cr, Nb and Ta, by means of ab initio total energy calculations using the projector augmented-wave method. We have derived the bulk and shear moduli, Young's moduli and Poisson's ratio for ideal polycrystalline M₂AlC aggregates. We have estimated the elastic modulus of Cr₂AlC with 357.7 GPa while the values of all other phases are in the range 309±10 GPa. We suggest that this can be understood based on the calculated bond energies for the M-C bonds. Furthermore, our results indicate a profound elastic anisotropy of M₂AlC even compared to materials with a well-established anisotropic character such as α-alumina. Finally, we have estimated the Debye temperatures of M₂AlC from the average sound velocity.