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21.
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Vikas Nayak 《Phase Transitions》2016,89(5):437-447
In this article, structural and electronic properties of MgH2 have been studied. The aim behind this study was to find out the ground state crystal structure of MgH2. For the purpose, density functional theory (DFT)-based full-potential linearized augmented plane wave (FP-LAPW) calculations have been performed in three different space groups: P42/mnm (α-MgH2), Pa3 (β-MgH2) and Pbcn (γ-MgH2). It has been found that the ground state structure of MgH2 is α-MgH2. The present study shows that α-MgH2 transforms into γ-MgH2 at a pressure of 0.41 GPa. After further increase in pressure, γ-MgH2 transforms into β-MgH2 at a pressure of 3.67 GPa. The obtained results are in good agreement with previously reported experimental data. In all the studied phases, the behavior of MgH2 is insulating and its optical conductivity is around 6.0 eV. The α-MgH2 and γ-MgH2 are anisotropic materials while β-MgH2 is isotropic in nature. 相似文献
23.
Reference spectra of important adsorbed organic and inorganic phosphate binding forms for soil P speciation using synchrotron‐based K‐edge XANES spectroscopy 下载免费PDF全文
Jörg Prietzel Gertraud Harrington Werner Häusler Katja Heister Florian Werner Wantana Klysubun 《Journal of synchrotron radiation》2016,23(2):532-544
Direct speciation of soil phosphorus (P) by linear combination fitting (LCF) of P K‐edge XANES spectra requires a standard set of spectra representing all major P species supposed to be present in the investigated soil. Here, available spectra of free‐ and cation‐bound inositol hexakisphosphate (IHP), representing organic P, and of Fe, Al and Ca phosphate minerals are supplemented with spectra of adsorbed P binding forms. First, various soil constituents assumed to be potentially relevant for P sorption were compared with respect to their retention efficiency for orthophosphate and IHP at P levels typical for soils. Then, P K‐edge XANES spectra for orthophosphate and IHP retained by the most relevant constituents were acquired. The spectra were compared with each other as well as with spectra of Ca, Al or Fe orthophosphate and IHP precipitates. Orthophosphate and IHP were retained particularly efficiently by ferrihydrite, boehmite, Al‐saturated montmorillonite and Al‐saturated soil organic matter (SOM), but far less efficiently by hematite, Ca‐saturated montmorillonite and Ca‐saturated SOM. P retention by dolomite was negligible. Calcite retained a large portion of the applied IHP, but no orthophosphate. The respective P K‐edge XANES spectra of orthophosphate and IHP adsorbed to ferrihydrite, boehmite, Al‐saturated montmorillonite and Al‐saturated SOM differ from each other. They also are different from the spectra of amorphous FePO4, amorphous or crystalline AlPO4, Ca phosphates and free IHP. Inclusion of reference spectra of orthophosphate as well as IHP adsorbed to P‐retaining soil minerals in addition to spectra of free or cation‐bound IHP, AlPO4, FePO4 and Ca phosphate minerals in linear combination fitting exercises results in improved fit quality and a more realistic soil P speciation. A standard set of P K‐edge XANES spectra of the most relevant adsorbed P binding forms in soils is presented. 相似文献
24.
Nishant N. Patel K. B. Joshi 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,59(1):19-23
Using empirical pseudopotential method Γ-L crossover is found for
the Ga0.74Al0.26Sb. The conduction band minimum is observed to
switch at the (0.87, 0, 0) point for Ga0.51Al0.49Sb which shifts to
the X point for Ga0.21Al0.79Sb and remains at X leading finally to
indirect band gap in AlSb. Band structure calculations for a large number of
alloys are performed and bowing parameters bX and bL are proposed
for the EX and EL respectively. Our findings may serve as
directive to select the materials in a range of composition to examine the
bowing parameters and thereby effective mass experimentally for the
GaxAl1-xSb alloys. 相似文献
25.
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The paper proposes a readout circuit architecture with adjustable integration time for dual-band infrared detectors. The readout circuit uses direct injection to be combined with a capacitive trans-impedance amplifier. The amplifier is sharing between two pixels to reduce the complexity of the readout circuit. The proposed device reduces power consumption and area overhead compared to traditional structures. An experimental chip was fabricated using the TSMC 0.35 μm 2P4 M 5 V process. The resulting unit pixel layout area is 40 μm × 40 μm with input photocurrent ranging from 0.11 pA to 50 nA. CTIA mode is applicable from 0.11 pA to 10 nA, while DI mode is applicable from 3.3 pA to 50 nA. The maximum operating frequency of the chip are 4 MHz. The CTIA output swing is 1.2 V, the DI output swing is 2 V. The signal to noise ratio of the readout circuit is 65 dB and power consumption is less than 9.6 mW. 相似文献
27.
通过广义梯度近似的第一原理全电子相对论计算, 研究了不同界面类型InAs/GaSb超晶格的界面结构、电子和光吸收特性. 由于四原子界面的复杂性和低对称性, 通过对InAs/GaSb超晶格进行电子总能量和应力最小化来确定弛豫界面的结构参数. 计算了InSb, GaAs型界面和非特殊界面(二者交替)超晶格的能带结构和光吸收谱, 考察了超晶格界面层原子发生弛豫的影响.为了证实能带结构的计算结果, 用局域密度近似和Hartree-Fock泛函的平面波方法进行了计算. 对不同界面类型InAs/GaSb超晶格的能带结构计算结果进行了比较, 发现界面Sb原子的化学键和离子性对InAs/GaSb超晶格的界面结构、 能带结构和光学特性起着至关重要的作用. 相似文献
28.
乳腺完全是由密度接近软组织构成,因此乳腺CR(Computed Radiography)放射图像对比度小,轻微的差别变化都可能是肿瘤的表现,要对其进行增强处理方能满足医生临床诊断的需要。而目前通用的乳腺CR图像增强算法对比度和噪声增强过度,丢失细节,为此提出了采用一种基于像素灰阶熵的自适应边缘增强算法对乳腺CR图像进行增强。该算法使用模糊影像增加对选择空间频率的响应,以增强乳腺CR图像结构边缘和细节;算法能根据乳腺CR图像灰度特性即像素灰阶熵来自适应的调节增强程度的加权因数K。实验证明,该算法处理后的乳腺CR图像细节丰富,信噪比高,增强后的图像具有良好的视觉效果,该算法是一种有效的适合乳腺CR医学图像的边缘细节增强算法。 相似文献
29.
Ni、Co/AAO纳米有序阵列复合结构光吸收特性的比较研究 总被引:2,自引:3,他引:2
在多孔阳极氧化铝(AAO)模板中分别沉积金属镍(Ni)、钴(Co),制备了Ni/AAO和Co/AAO纳米有序阵列复合结构,对其光吸收特性进行了比较研究。实验结果表明.相同结构参量的模板中,Ni、Co纳米粒子的表观形状随沉积时间的变化规律基本一致.但Co/AAO及Ni/AAO复合结构的光吸收特性却有较大差异。Ni/AAO复合结构表现出间接带隙半导体的光学特征.而Co/AAO复合结构具有直接带隙半导体的光学特征。同时,随金属沉积量的增加,Ni/AAO吸收边的红移量仅约为13nm.而Co/AAO复合结构的吸收边红移量却超过了80nm。用Maxwell-Garnett(M-G)理论分析了导致二者光吸收特性存在较大差异的主要原因。 相似文献
30.
Synchrotron XANES and ED‐XRF analyses of fine‐paste ware from 13th to 14th century maritime Southeast Asia 下载免费PDF全文
Jaru Jutimoosik Chitnarong Sirisathitkul Wanida Limmun Rattikorn Yimnirun Wannasarn Noonsuk 《X射线光谱测定》2017,46(6):492-496
The combination of energy dispersive X‐ray fluorescence (ED‐XRF) and synchrotron X‐ray absorption near‐edge structure (XANES) provides the detailed composition of fine‐paste ware (FPW) kendis, dated back to 13th–14th century maritime Southeast Asia. Sources of clay and production sites were classified according to Al2O3, SiO2, α‐Fe2O3 and γ‐Fe2O3 as well as trace elements. The similarities based on these components provided another evidence of a trade route between Kota Cina in North Sumatra of Indonesia and Kok Moh on Satingphra Peninsula, a well‐known production area in present‐day Thailand. In additions, the uniquely large contribution of α‐Fe2O3 in XANES spectra suggests that Nakhon Si Thammarat province of Thailand could also be one of FPW production areas in maritime Southeast Asia. Copyright © 2017 John Wiley & Sons, Ltd. 相似文献