排序方式: 共有22条查询结果,搜索用时 93 毫秒
11.
利用X射线近边吸收谱对Fe2P,Ni2P及其掺杂物(Fe1-xNix)2P(x=01,025,05)中Fe,Ni,P的K边进行了研究.结合多重散射理论近边计算,讨论了金属原子不同位置格点3f,3g对近边谱特征的贡献,得出当Ni原子取代Fe原子时将优先占据Fe(3f)格点位置;根据第一性原理对能态的计算发现,不考虑磁性时不同格点P的pDOS未占据态电子结构与P-K近边吸收谱实验相符合;与考虑铁磁性Fe2P 的DOS相比较后结果显示Fe2P的磁性主要来源于Fe(3g)格点,铁磁性Ni2P计算的Ni不同格点原子磁矩均接近于0,与它一般显顺磁性结论相一致.
关键词:
X射线近边吸收谱
电子结构
多重散射理论
态密度 相似文献
12.
High pressure X-ray diffraction study of SrMnO3 perovskite 总被引:1,自引:0,他引:1
Using a diamond anvil cell device and synchrotron radiation, the in-situ high-pressure structure of SrMnO3 has been investigated. At pressure up to 28.6 GPa, no pressure-induced phase transition is observed. The lattice parameters as a function of pressure is reported, and the relationship of the axial compression coefficients is βa>βc. The isothermal bulk modulus K298=266(4) GPa is also obtained by fitting the pressure-volume data using the Murnaghan equation of state. 相似文献
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Quasi-hydrostatic Limit of LiF as a Pressure Transmitting Medium and Its Equation of States 下载免费PDF全文
Quasihydrostatic limit of LiF as a pressure transmitting medium is investigated by synchrotron radiation x-ray diffraction combined with the diamond anvil cells technique up to 60 GPa at room temperature. The equation-of- state parameters of LiF are determined to be Vo = 65.7(2)A3 Bo = 58(3) GPa and B'0 = 4.9(2) in the silicon oil environment; Vo = 67.4(3) A3, Bo = 51(3) GPa and B'0 = 4.7(2) without pressure transmitting medium. The full width at half maximum of LiF (111) peak increases with the increase of pressure in two independent experiments. The pressure distribution in the sample chamber is estimated by line-scanning x-ray diffraction measurements across the chamber's center, which presents as homogeneous with Pmax - Pmin Of about 1 GPa below 40 GPa. 相似文献
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In situ high-pressure experiments of Co2P are carried out by means of angle dispersive X-ray diffraction with diamond anvil cell technique. No phase transition is observed in the present pressure range up to 15 GPa at room temperature, even at high temperature and 15 GPa. Results of compression for Co2P are well presented by the second-order Birch-Murnaghan equation of state with V0 = 130.99(2)3 (1=0.1 nm) and K0 = 160(3) GPa. Axial compressibilities are described by compressional modulus of the axis: Ka = 123(2) GPa, Kb = 167(8) GPa and Kc = 220(7) GPa. Theoretical calculations further support the experimental results and indicate that C23-type Co2P is stable at high pressure compared with the C22-type phase. 相似文献
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对于组份为x=0.0和x=0.3的巨磁电阻锰氧化物Pr1-x Srx MnO3(PSMO)体系在OK阈值,Mn L2,3边的区域内进行了O1s2p2p俄歇谱随光子能量变化的实验研究.实验结果显示O1s2p2p俄歇峰发生分裂并且可将其拟合为3个子峰.PSMO在OK阈值或Mn L2,3边以下进行激发时,其俄歇峰3个子峰的相对强度基本保持恒定,然而反映终态效应特性的总强度却有起伏发生.这一状况在Mn L2,3边以上激发时表现更为显著,即组份为x=0.3的总强度为x=0.0的4倍.对这些现象在共价键图 相似文献
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采用金刚石对顶砧高压装置和同步辐射X射线衍射技术,在常温下对两种天然橄榄石单晶(含铁的铁镁橄榄石(Mg_(1.83)Fe_(0.17))SiO_4和不含铁的纯镁橄榄石Mg_2SiO_4)进行了高压结构行为研究。实验结果表明,两种天然橄榄石单晶在最高压力为9.9GPa的条件下没有发生相变。采用二阶Birch-Murnaghan状态方程描述压力-晶胞体积(p-V)关系,获得了铁镁橄榄石和纯镁橄榄石在零压下的晶胞体积(0.292 9(3)、0.289 9(1)nm^3)和体积模量(140(3)、151(2)GPa)。两种镁橄榄石呈高度各向异性,轴压缩性表现为:b轴的压缩率最大,c轴次之,a轴的压缩率最小。随着铁组分的加入,橄榄石的体波速减小,两种橄榄石的体波速相差5.2%,该结果对于研究上地幔的物质构成和弹性波速具有一定的意义。 相似文献
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The synthesized monoclinic(B-type) phase of Y_2O_3 has been investigated by in situ angle-dispersive x-ray diffraction in a diamond anvil cell up to 44 GPa at room temperature. A phase transition occurs from monoclinic(B-type) to hexagonal(A-type) phase at 23.5 GPa and these two phases coexist even at the highest pressure. Parameters of isothermal equation of state are V_0= 69.0(1) ~3, K_0= 159(3) GPa, K_0= 4(fixed) for the B-type phase and V_0= 67.8(2) ~3, K_0= 156(3) GPa,K'_0= 4(fixed) for the A-type phase. The structural anisotropy increases with increasing pressure for both phases. 相似文献
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利用X射线近边吸收谱对Fe2P,Ni2P及其掺杂物(Fe1-xNix)2P(x=0.1,0.25,0.5)中Fe,Ni,P的K边进行了研究.结合多重散射理论近边计算,讨论了金属原子不同位置格点3f,3g对近边谱特征的贡献,得出当Ni原子取代Fe原子时将优先占据Fe(3f)格点位置;根据第一性原理对能态的计算发现,不考虑磁性时不同格点P的pDOS未占据态电子结构与P-K近边吸收谱实验相符合;与考虑铁磁性Fe2P的DOS相比较后结果显示Fe2P的磁性主要来源于Fe(3g)格点,铁磁性Ni2P计算的Ni不同格点原子磁矩均接近于0,与它一般显顺磁性结论相一致. 相似文献