Experimental Calibration of Sn‐Related Varshni Parameters for High Sn Content GeSn Layers

From temperature‐dependent photoluminescence of a single Ge_0.84Sn_0.16 sample, Sn‐related Varshni parameters are extracted and used as input parameters in an 8‐band k·p model, and predict direct bandgap energies of high Sn content GeSn alloys with concentration varying from 8% to 16%. Then, exhaustively compared are the calculated direct Γ‐valley bandgap energies to photoluminescence results of 13% and 16% Sn content alloys and to direct bandgap energies found in literature. The agreement between k·p modeling and experimental datasets is close to 3% for different strain conditions of GeSn epilayers. The outcome of this study is an 8‐band k·p model with a fixed set of parameters, the model being self‐sufficient to describe the direct bandgap of Ge_1?xSn_x layers with x varying from 8% to 16% for large ranges of strain and temperature.     

Piezoresistivity in GaAs/InxGa1–xAs/AlAs superlattice structures

We report on a strong piezoresistive effect in GaAs/ In_x Ga_1–x As/AlAs superlattice structures fabricated on a GaAs‐base cantilever. The measurements of the piezoresistive properties were performed for tensile strains by static pressure experiments. The maximum gauge factor (GF) for the GaAs/In_x Ga_1–x As/AlAs epilayer can be estimated to 200, which is higher than the value of the gauge factor reported for Si transducers. Our results demonstrate a higher potential of GaAs/In_x Ga_1–x As/AlAs superlattice structures for the development of piezoresistive sensors. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Microstructure,dielectric, and piezoelectric properties of 0.38Bi(Gax Sc1–x )O3–0.62PbTiO3 high temperature piezoelectric ceramics

0.38Bi(Ga_x Sc_1–x )O₃–0.62PbTiO₃ (BGSPTx) ceramics have been prepared by using the conventional mixed oxide method. X‐ray diffraction analysis revealed that BGSPTx has a pure perovskite structure, and the crystal symmetry of BGSPTx changed from rhombohedral to tetragonal with increasing Ga content (x). The Curie temperature (T_C) of BGSPTx ceramics is in the range of 448–467 °C for different x. The ferroelectric phase transition of BGSPTx was found to be of the first order type according to the Curie–Weiss law. For x = 0.125, BGSPTx ceramics show enhanced piezoelectric properties: piezoelectric constant d₃₃ = 420 pC/N and d₃₁ = –142 pC/N, planar and thickness electromechanical coupling factors k_p = 56.27% and k_t = 56.00%, respectively. The high‐T_C of BGSPTx coupled with its excellent piezoelectric properties suggests those future high‐temperature applications. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Supreme shear modulus predicted in the monocarbide system: the Rex W1–x C alloy

The energetic, mechanical and electronic properties as a function of composition for Re_x W_1–x C alloys in the WC structure have been investigated. It has been demonstrated that the shear modulus of WC can be enhanced by alloying with a small amount of Re, to a maximum shear modulus of 311 GPa at x = 0.23. The designed alloy is energetically stable and could be expected to be a potential extremely hard transition‐metal monocarbide, which is attributed to the strong metal–metalloid interaction with modulated valence electron concentration with respect to WC. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Synthesis and low temperature transport properties of Mg2Ge1–y Sby

We report on the synthesis and low temperature transport of Mg₂Ge_1–y Sb_y with 0 ≤ y ≤ 0.33. In these materials Sb substitutes for Ge in the antifluorite structure. Electrical and thermal transport measurements indicate that as the Sb content increases, vacancies are formed on the Mg sites thereby contributing to variations in the transport properties. With increasing Sb content both the absolute Seebeck coefficient and electrical resistivity first decrease and then increase, while the thermal conductivity decreases monotonically. Hall measurements indicate this tendency is associated with vacancy formation at higher Sb concentrations. The lattice thermal conductivity is fitted using the Debye approximation in order to elucidate the effect of alloying. We discuss these results in terms of potential for thermoelectric applications. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Impact of the Ga concentration on the microstructure of CuIn1–x Gax Se2

Cross‐sectional samples of CuIn_1–x Ga_x Se₂ layers grown by a three‐stage process were studied by means of electron backscatter diffraction (EBSD) in completed thin‐film solar cells. The microstructural analysis reveals a dependence of the average grain size on the gallium content x = [Ga]/([Ga] + [In]), with a maximum at x = 0.23. This result is correlated with structural measurements on CuIn_1–x Ga_x Se₂ powder samples showing that the ratio of the lattice constants c /a is equal to 2 for about the same x value. The pseudocubic crystal structure at about x = 0.23 may lead to reduced strain in the growing CuIn_1–x Ga_x Se₂ layer and therefore larger average grain sizes. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Oxygen vacancy induced ferromagnetism in rutile TiO2–x

First‐principles LDA + U calculations have been performed to study the effects of oxygen vacancies (V_O) on the electronic structure and magnetism in undoped rutile TiO_2–x . Instead of treated as an adjustive parameter, the value of U was determined by constrained‐density‐functional calculations. The calculated electronic structure reveals that the valence electrons released by V_O would occupy mainly the neighboring Ti:3d orbital which then becomes spin‐polarized due to intra‐atomic exchange interaction, thereby giving rise to the half‐metallic ferromagnetism. The magnetization induced by V_O in rutile TiO_2–x is almost proportional to the V_O concentration (x) for x > 0.0625, and becomes 0 for x ≤ 0.0417. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Soft magnetic properties and giant magneto-impedance effect of Fe73.5−xCrxSi13.5B9Nb3Au1 (x=1–5) alloys

In this paper, the effect of microstructural and surface morphological developments on the soft magnetic properties and giant magneto-impedance (GMI) effect of Fe_73.5−xCr_xSi_13.5B₉Nb₃Au₁ (x=1, 2, 3, 4, 5) alloys was investigated. It was found that the Cr addition causes slight decrease in the mean grain size of α-Fe(Si) grains. AFM results indicated a large variation of surface morphology of density and size of protrusions along the ribbon plane due to structural changes caused by thermal treatments with increasing Cr content. Ultrasoft magnetic properties such as the increase of magnetic permeability and the decrease of coercivity were observed in the samples annealed at 540 °C for 30 min. Accordingly, the GMI effect was also observed in the annealed samples.     

Potential of Si1−xGex alloys for Auger generation in highly efficient solar cells

Recent investigation on Si solar cells demonstrated the utility of Auger generation for the creation of more than merely one electron/hole pair per absorbed photon. The semiconductor Si requires a minimum photon energy of about 3.4 eV for this internal carrier multiplication. The current of a Si cell is therefore not significantly increased by Auger generation when the cell is illuminated by an air mass 1.5 spectrum, which contains only few photons with energies above 3.4 eV. Use of Si_1–x Ge _x alloys promises a lower onset energy. Unfortunately, incomplete data on band structures ofrandom Si_1–x Ge _x alloys preclude a detailed quantitative discussion of the full potential for these materials. Nevertheless, (i) analogies to our own quantum efficiency data from pure Si, (ii) the calculated band structure of the hypothetical,ordered zincblende type Si_0.5Ge_0.5 crystal, and (iii) optical data for Si_1–x Ge _x alloys indicate an optimum Ge content ofx=0.6 tox=0.7.     

Preparation and microstructures of CoAg granular films with giant magnetoresistance

A series of Co _x Ag_1–x (0 x < 100 at.%) granular films were deposited onto glass substrates with the thickness on the order of 400 nm using the ion-beam cosputtering technique at different substrate temperatures. Systematical investigations were made on the Giant MagnetoResistance (GMR) effect and microstructures in these thin granular films. The magnetoresistance ratio strongly depends on cobalt concentration, substrate temperature, and the optimal value of GMR was observed in Co₂₂Ag₇₈ sample prepared at a temperature of 300 K. Microstructures of these films are closely related to the fabricating process, and thus influence the GMR.     

Electronic structure of the Co4Sn6Te6 ternary skutterudite phase

The electronic structure of Co₄Sn_6–x Te_6+x (x = 0, 1) ternary skutterudite systems has been investigated using ab ‐initio band structure computation. The x = 0 system is a semiconductor like the binary Co₄Sb₁₂, but with a lower band gap. The best dopant concentration for Co₄Sn₆Te₆ is estimated to be lower than that of Co₄Sb₁₂, with the highest electronic fig‐ ure‐of‐merit Z_eT for the n‐doped system. Finally, the increased charge transfer between the 8c Co and 24g Sn and Te atoms in Co₄Sn₆Te₆ compared to that of Co₄Sb₁₂ could be one reason for the observed decrease of thermal conductivity in ternary skutterudite systems. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Study of spin–phonon coupling in LiFe1 − xMnxPO4olivines

LiFe_{1 − x}Mn_xPO₄ olivines are promising material for improved performance of Li‐ion batteries. Spin–phonon coupling of LiFe_{1 − x}Mn_xPO₄ (x = 0, 0.3, 0.5) olivines is studied through temperature‐dependent Raman spectroscopy. Among the observed phonon modes, the external mode at ~263 cm⁻¹ is directly correlated with the motions of magnetic Fe²⁺/Mn²⁺ ions. This mode displays anomalous temperature‐dependent behavior near the Néel temperature, indicating a coupling of this mode with spin ordering. As Mn doping increases, the anomalous behavior becomes clearly weaker, indicating the spin–phonon coupling quickly decreases. Our analyses show that the quick decrease of spin–phonon coupling is due to decrease of the strength of spin–phonon coupling, but not change of spin‐ordering feature with Mn doping. Importantly, we suggest that the low electrochemical activity of LiMnPO₄ is correlated with the weak spin–phonon coupling strength, but not with the weak ferromagnetic ground state. Our work would play an important role as a guide in improving the performances of future Li‐ion batteries. Copyright © 2015 John Wiley & Sons, Ltd.     

X‐ray fluorescence induced by standing waves in the grazing‐incidence and grazing‐exit modes: study of the Mg–Co–Zr system

The characterization of Mg–Co–Zr tri‐layer stacks using X‐ray fluorescence induced by X‐ray standing waves, in both the grazing‐incidence (GI) and the grazing‐exit (GE) modes, is presented. The introduction of a slit in the direction of the detector improves the angular resolution by a factor of two and significantly improves the sensitivity of the technique for the chemical characterization of the buried interfaces. By observing the intensity variations of the Mg Kα and Co Lα characteristic emissions as a function of the incident (GI mode) or detection (GE mode) angle, it is shown that the interfaces of the Si/[Mg/Co/Zr]_×30 multilayer are abrupt, whereas in the Si/[Mg/Zr/Co]_×30 multilayer a strong intermixing occurs at the Co‐on‐Zr interfaces. An explanation of this opposite behavior of the Co‐on‐Zr and Zr‐on‐Co interfaces is given by the calculation of the mixing enthalpies of the Co–Mg, Co–Zr and Mg–Zr systems, which shows that the Co–Zr system presents a negative value and the other two systems present positive values. Together with the difference of the surface free energies of Zr and Co, this leads to the Mg/Zr/Co system being considered as a Mg/Co_xZr_y bi‐layer stack, with x/y estimated around 3.5.     

Electron spin resonance and quantum critical phenomena in VOx multiwall nanotubes

Basing on the high frequency (60 GHz) electron spin resonance study of the VO_x multiwall nanotubes (VO_x ‐NTs) carried out in the temperature range 4.2–200 K we report: (i) the first direct experimental evidence of the presence of the antiferromagnetic dimers in VO_x ‐NTs and (ii) the observation of an anomalous low temperature growth of the magnetic susceptibility for quasi‐free spins, which obey the power law χ (T)～1/T ^α with the exponent α ≈ 0.6 in a wide temperature range 4.2–50 K. We argue that the observed departures from the Curie–Weiss behaviour manifest the onset of the quantum critical regime and formation of the Griffiths phase as a magnetic ground state of these spin species. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Structural and electrical analysis of In–Sb–Te‐based PCM cells

Two In–Sb–Te compounds with low Te content (12 at.% and 17 at.%), deposited by metalorganic chemical vapour deposition, were implemented into prototype phase‐change memory devices of size 50 × 50 nm² and 93 × 93 nm². These chalcogenides yielded devices with higher threshold voltage than those based on Ge–Sb–Te alloys. The endurance and programming window were markedly improved (from 10³ to 10⁶ cycles and from 1 to 2 orders of magnitude, respectively) when employing the Te‐richer alloy. Moreover, in situ structural and electrical analysis on TiN/In–Sb–Te/dielectric stacks provided additional insight on the thermal stability of the two ternary phases In₃SbTe₂ and InSb_0.8Te_0.2, which were found to coexist in these compounds. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Low‐temperature photoluminescence studies of In‐rich InAlN nanocolumns

High‐quality In_x Al_1–xN (0.71 ≤ x_In ≤ 1.00) nanocolumns (NCs) have been grown on Si(111) substrates by rf‐plasma‐assisted molecular‐beam epitaxy (rf‐MBE). Low‐temperature photoluminescence (LT‐PL) spectra of various In‐rich InAlN NCs were measured at 4 K and single peak PL emissions were observed in the wavelength region from 0.89 µm to 1.79 µm. Temperature‐dependent PL spectra of In_0.92Al_0.08N NCs were studied and the so‐called “S‐shape” (decrease–increase–decrease) PL peak energy shift was observed with increasing temperature. This shift indicates the carrier localization induced by the In segregation effect and is different from the anomalous blue shift frequently observed in InN films and nanowires with high residual carrier concentra‐ tions. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Piezoelectric and ferroelectric properties of [(K0.4725Na0.4725)Li0.055]NbO3–(Ag0.5Li0.5)TaO3 lead‐free ceramics

New lead‐free piezoelectric (1 – x)[(K_0.4725Na_0.4725)Li_0.055]NbO₃– x (Ag_0.5Li_0.5)TaO₃ [(1 – x)KNNL–x ALT] ceramics were prepared by conventional sintering. Piezoelectric and ferroelectric properties and Curie temperature of the ceramics were studied. The (1 – x)KNNL–x ALT (x = 0.04) ceramics exhibit good properties (d₃₃ ～ 252 pC/N, k_p ～ 41%, T_C ～ 471 °C, T_o–t = 47 °C, P_r = 33.1 μC/cm², E_c = 10.6 kV/cm). These results show that (1 – x)KNNL–x ALT (x = 0.04) ceramic is a promising lead‐free piezoelectric material for high temperature application. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Surface morphology and growth mechanism of catalyst‐free ZnO and Mgx Zn1–x O nanorods

High‐resolution transmission electron microscopy was employed to investigate morphologies and catalyst‐free growth mechanism of ZnO/Mg_x Zn_1–x O ‘multi‐quantum well’ and ‘core‐shell’ nanorod heterostructures as well as ZnO nanorods. The one‐dimensional growth mechanism and the hexagonal faceting of ZnO nanorod were explained by the surface energy anisotropy. The morphology change by alloying with Mg was successfully explained by investigating the energy gain by adatom adsorption and the reduction in the surface energy anisotropy. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Structure and elastic properties of TeO2-BaF2 glasses

Binary tellurite (100−x)TeO₂-xBaF₂ glasses for different compositions of BaF₂ (x=8, 10, 12, 15, 18 and 20 wt%) have been prepared by rapid quenching method. The velocities and attenuation during the propagation of the ultrasonic waves in all glasses were measured using a transducer operated at a fundamental frequency of 5 MHz at room temperature. A progressive increase in BaF₂ content leads to a decrease in ultrasonic velocities and density, which is followed by an increase in attenuation. The existence of depolymerisation of Te co-ordination leads to the transformation of TeO₄ trigonal bipyramid units through TeO₃₊₁ polyhedron to TeO₃ trigonal pyramid units. This is responsible for the observed decrease in the measured and determined parameters with the addition of the modifier content.     

High‐performance a‐Si1–xOx:H/c‐Si heterojunction solar cells realized by the a‐Si:H/a‐Si1–xOx:H stack buffer layer

We used amorphous silicon oxide (a‐Si_1–xO_x:H) and microcrystalline silicon oxide (µc‐Si_1–xO_x:H) as buffer layer and p‐type emitter layer, respectively, in n‐type silicon hetero‐junction (SHJ) solar cells. We proposed to insert a thin (2 nm) intrinsic amorphous silicon (a‐Si:H) thin film between the thin (2.5 nm) a‐Si_1–xO_x:H buffer layer and the p‐layer to form a stack buffer layer of a‐Si:H/a‐Si_1–xO_x:H. As a result, a high open‐circuit voltage (V_OC) and a high fill factor (FF) were obtained at the same time. Finally, a high efficiency of 19.0% (J_SC = 33.46 mA/cm², V_OC = 738 mV, FF = 77.0%) was achieved on a 100 μm thick polished wafer using the stack buffer layer.