1H, 13C, and 73Ge NMR spectral analysis of substituted aryltrimethylgermanes

NMR chemical shifts of 1H, 13C, and 73Ge are reported for a series of monosubstituted aromatic trimethylgermanes of the type XC6H4Ge(CH3)3; X = p-N(CH3)2, p-OCH3, p-OC2H5, p-C(CH3)3, p-Si(CH3)3, p-Ge(CH3)3, p-Sn(CH3)3, p-CH3, m-CH3, -H, m-OCH3, p-Cl, p-Br, m-F, m-CF3, p-CF3, o-OCH3, and o-CH3. The relatively narrow 73Ge resonances show a strong correlation with Hammett sigma constants, with a correlation coefficient of 0.976 and 0.876 for 73Ge chemical shifts in meta- and para-substituted derivatives, respectively. The 13C chemical shifts of the methyl carbons bonded to germanium also display a relationship, with correlation coefficients of 0.904, 0.993, and 0.911 for para-, meta- and all derivatives, respectively. Comparisons of the Hammett plots for the homologous series XC6H4M(CH3)3; M = C, Si, Ge, Sn, show that, in general, correlation coefficients decrease while slopes increase significantly down the group, presumably reflecting the corresponding increase in chemical shift range of the group 14 atom. The Hammett constant derived for the p-Ge(CH3)3 group of +0.13 compares with the NMR-derived constants of -0.12 for p-C(CH3)3, +0.14 for p-Si(CH3)3, and -0.14 for p-Sn(CH3)3. The indication of electron release by carbon and tin can be rationalized through traditional hyperconjugative arguments for carbon and by the low electronegativity and consequent inductive effect of tin. The small electron attraction suggested by the positive constants for silicon and germanium can be simply, and perhaps naively, attributed to pi-acceptor interactions with the benzene ring.     

High-resolution solid-state MAS 73Ge NMR spectra of some organogermanes

High-resolution solid-state magic angle spinning (73)Ge NMR spectra of some organogermanium compounds were measured. Most tetrasubstituted germanes with identical substituents exhibited signals except for one case. Tetrasubstituted germanes with two kinds of different but somewhat similar substituents exhibited broad peaks. Trisubstituted germanes failed to show signals, indicating the importance of symmetry around germanium.     

Novel solutions to the combined dispersion equation

In this Letter, the combined dispersion equation was solved by the sub-equation method. It is shown that the combined dispersion equation with the special parameters can be solved and many novel solutions will derived in terms of Jacobi elliptic functions, where some known solutions will be recovered when the modulus arrives its limiting value.     

Molecular dynamics simulation comparison of atomic scale intermixing at the amorphous Al2O3/semiconductor interface for a-Al2O3/Ge, a-Al2O3/InGaAs, and a-Al2O3/InAlAs/InGaAs

The structural properties of a-Al₂O₃/Ge, a-Al₂O₃/In_0.5Ga_0.5As and a-Al₂O₃/In_0.5Al_0.5As/InGaAs interfaces were investigated by density-functional theory (DFT) molecular dynamics (MD) simulations. Realistic a-Al₂O₃ samples were generated using a hybrid classical-DFT MD “melt and quench” approach. The interfaces were formed by annealing at 700 K/800 K and 1100 K with subsequent cooling and relaxation. The a-Al₂O₃/Ge interface demonstrates pronounced interface intermixing and interface bonding exclusively through Al–O–Ge bonds generating high interface polarity. In contrast, the a-Al₂O₃/InGaAs interface has no intermixing, Al–As and O–In/Ga bonding, low interface polarity due to nearly compensating interface dipoles, and low substrate deformation. The a-Al₂O₃/InAlAs interface demonstrated mild intermixing with some substrate Al atoms being adsorbed into the oxide, mixed Al–As/O and O–Al/In bonding, medium interface polarity, and medium substrate deformation. The simulated results demonstrate strong correlation to experimental measurements and illustrate the role of weak bonding in generating an unpinned interface for metal oxide/semiconductor interfaces.     

Effect of geometry on magnetization distortion in closed-circuit magnetic measurements

The effect of specimen geometry on magnetization distortion in closed-circuit measurements is reported in this letter. The degree of the distortion increases as the ratio of length to diameter (L/D) of specimen decreases, and the distortion can reduce the magnetization values as much as 42% when the applied magnetic field is 24 kOe and the L/D is 0.28. The type of magnetic material also affects the distortion. Although the phenomenon seems to be similar to the “image effect” that occurs in open-circuit measurements, reports of this effect in closed-circuit measurements have not been found in the literature. Further research effort, including 3D computer modeling, for understanding this magnetic phenomenon is underway and will be reported later.     

Interface control of high-k gate dielectrics on Ge

Important progress has been made in the passivation of Ge/gate dielectric interfaces. One important approach is by thermally oxidized GeO₂ interface and ALD high-k layers, with an interface state density D_it ∼ 2 × 10¹¹ cm⁻² eV⁻¹. Another approach is with an epi-Si/SiO₂ interface, resulting in similar D_it. Hysteresis and V_th shift, however, are still not optimal. Extensive material characterization and theoretical insights help us understanding the root cause of these remaining issues and show the way to improved interface control.     

Raman spectroscopy of CaM2+Ge2O6 (M2+ = Mg,Mn, Fe,Co, Ni,Zn) clinopyroxenes

The Raman spectra of Ge‐clinopyroxenes CaM²⁺Ge₂O₆ (M²⁺ = Mg, Mn, Fe, Co, Ni, Zn), general formula M2M1T₂O₆, are reported for the first time. Their spectral features are discussed in comparison with corresponding Si‐pyroxenes. The vibrational wavenumbers of germanates may be roughly obtained by a scale factor of about ~0.8 by those of the corresponding silicates, due to the Ge‐Si mass difference. The main peaks in the germanate Raman spectra at ~850 and ~540 cm⁻¹ may be related to Ge‐O tetrahedral stretching and chain bending, respectively; minor peaks between 200 and 400 cm⁻¹ are ascribed to bending and stretching of the non‐tetrahedral cations. Within Ge‐pyroxenes, possible correlations between crystallographic parameters and the vibrational wavenumbers are investigated. The main stretching mode at ~850 cm⁻¹ shows wavenumber changes with M²⁺ substitutions, but no simple correlation can be found with M²⁺ cation mass or size. On the other hand, the chain bending wavenumber linearly decreases with increasing ionic radius of the M²⁺ cation: the expansion of the M1 polyhedron reduces the chain kinking angle and the Ge‐Ge distances correspondingly increase. Copyright © 2015 John Wiley & Sons, Ltd.     

Numerical calculation of energies of some excited states in a helium atom

The energies of some excited states with the total angular momentum L=0, 1 and 2. the total spin of two electrons S=0 and 1, and the even and odd parities are precisely calculated directly from the Schrödinger equation where the mass of the helium nucleus is finite. Moreover, we find that the solutions to the equation for the excited states have some more nodes, which can be used to distinguish the states with the same spectral term.     

光学浮区法生长掺锗氧化镓单晶及其性质研究

采用光学浮区法生长了尺寸φ8mm×40 mm的Ge∶β-Ga2O3单晶.XRD物相分析表明Ge∶β-Ga2O3单晶仍属于单斜晶系.为对其内部缺陷进行表征,进行了腐蚀实验,在光学显微镜下观察到缺陷密度为6×104/cm2.光学测试表明,与纯单晶相比,Ge∶β-Ga2O3单晶在红外波段存在明显吸收,只有位于蓝光区域的两个荧光峰,抑制了紫外与绿光波段的发光.电学性能测试得出,Ge∶β-Ga2O3单晶的电导率在10-3量级,说明掺杂Ge4+对β-Ga2O3单晶的电学性能的确有改善.     

Crystallographic report: 2‐Furfurylgermatrane

The germanium atom is penta‐coordinated and adopts a trigonal bipyramidal geometry. The 2‐furfuryl group and the nitrogen atom each occupy an apical position with a transannular N→Ge bond distance of 2.173(3) Å. Copyright © 2004 John Wiley & Sons, Ltd.