YGG:Cr3+低温常压下的能谱及g因子理论计算

采用对角化由强场方案和无耦合的三角基建立的三角畸变八面体场中的d3离子完全能量矩阵,对YGG:Cr3+在低温常压下的能谱及波函数进行了拟合计算,并分析了各参数对部分能级的影响,定量地显示了能级分裂的影响因素。同时,使用对角化完全能量矩阵所获得的基态波函数,进一步计算了YGG:Cr3+的基态g因子。各项计算结果均与实验符合很好。     

KAl(MoO4)2晶体中掺杂Cr3+的能谱和g因子的理论计算*

采用强场方案和三角基，通过对角化三角畸变的立方晶场下的d3 完全能量矩阵，计算出了KAl(MoO4)2:Cr3+ 的能谱和波函数。使用对角化完全能量矩阵所获得的波函数，进一步计算了KAl(MoO4)2:Cr3+ 的基态g 因子。计算结果与光谱，EPR谱实验数据很好地符合。研究表明,利用对角化完全能量矩阵获得的波函数对 g 因子所作的计算为整个理论计算及波函数的归属提供了重要判据,充分体现了将能谱和g 因子作统一计算的重要性和必要性.     

BeAl2O4:Cr3+的能谱和R1线压力移位的理论计算

采用强场方案和三角基,通过对角化三角畸变立方场的d3电子组态完全能量矩阵,拟合得到BeAl2O4:Cr3+的能谱和波函数.利用获得的波函数,计算出了基态g因子和R1 、R2线能谱压致移位值,计算值和实验结果相符合.各参数对能级压力移位率的影响也被定量计算,揭示了R1和R2线压力移位的物理起源.     

BeAl2O4:Cr3+的能谱及R1和R2线压力移位的理论计算

采用强场方案和三角基,通过对角化三角畸变立方场的d3电子组态完全能量矩阵,拟合得到BeAl2O4:Cr3+的能谱和波函数.利用获得的波函数,计算出了基态g因子和R1 、R2线能谱压致移位值,计算值和实验结果相符合.各参数对能级压力移位率的影响也被定量计算,揭示了R1和R2线压力移位的物理起源.     

LiNbO_3:Ni~(2+)的常压能谱和g因子

采用强场方案,通过将d8完全能量矩阵对角化,统一计算了LiNbO3:Ni2+的常压能谱和g因子,计算结果与大量实验数据符合很好.给出了各个能级对不同参量的变化率.研究表明,利用对角化完全能量矩阵获得的波函数对g因子所作的计算为整个理论计算及波函数的归属提供了重要判据,充分体现了将能谱和g因子作统一计算的重要性和必要性. 关键词： 晶场 能谱 g因子     

Cr3+∶MgAl2O4晶体的基态能级分裂及Jahn-Teller效应*

构造了3d3/3d7离子在三角对称晶场中考虑自旋-轨道相互作用,自旋-自旋相互作用和自旋-其它轨道相互作用的120阶微扰哈密顿矩阵.利用完全对角化该矩阵的方法计算了Cr3+∶MgAl2O4晶体的基态能级、零场分裂参量,理论计算值与实验值相符合.定量研究了自旋二重态对基态能级的贡献,证明该贡献是不可忽略的.定量研究了自旋-轨道相互作用、自旋-自旋相互作用和自旋-其它轨道相互作用对Cr3+∶MgAl2O4晶体的光谱精细结构和零场分裂参量的影响,发现自旋-轨道和自旋-自旋相互作用对基态能级和零场分裂参量的影响的程度和方式是不同的,自旋-其它轨道相互作用的影响也是不可忽略的.通过理论计算值和实验值的比较,证实了在Cr3+∶MgAl2O4晶体中Jahn-Teller效应的存在,解释了该晶体的光谱精细结构的成因.     

YAG:Cr3+晶体的基态能级分裂及扬-特勒效应

应用不可约张量法和群的理论构造了三角对称晶场中3d3/3d7态离子的可完全对角化的120阶微扰哈密顿矩阵.矩阵中考虑了自旋-轨道相互作用,自旋-自旋相互作用和自旋-其他轨道相互作用,利用该矩阵计算了YAG.Cr3 晶体的基态能级、零场分裂参量,研究了自旋二重态对基态能级的贡献,理论计算值与实验值相符合,证明二重态对基态的贡献是不可忽略的.在此基础上,进一步研究了自旋-轨道相互作用、自旋-自旋相互作用和自旋-其他轨道相互作用对YAG:Cr3 晶体的光谱精细结构和零场分裂参量的影响,发现自旋-自旋和自旋-其他轨道相互作用对YAG晶体基态光谱精细结构和零场分裂参量的影响都是不可忽略的.通过理论计算值和实验值的比较,证实了在YAG:Cr3 晶体光谱中扬-特勒效应的存在.     

Cr~(3 )∶MgAl_2O_4晶体的基态能级分裂及Jahn-Teller效应

构造了3d3/3d7离子在三角对称晶场中考虑自旋-轨道相互作用,自旋-自旋相互作用和自旋-其它轨道相互作用的120阶微扰哈密顿矩阵.利用完全对角化该矩阵的方法计算了Cr3 ∶MgAl2O4晶体的基态能级、零场分裂参量,理论计算值与实验值相符合.定量研究了自旋二重态对基态能级的贡献,证明该贡献是不可忽略的.定量研究了自旋-轨道相互作用、自旋-自旋相互作用和自旋-其它轨道相互作用对Cr3 ∶MgAl2O4晶体的光谱精细结构和零场分裂参量的影响,发现自旋-轨道和自旋-自旋相互作用对基态能级和零场分裂参量的影响的程度和方式是不同的,自旋-其它轨道相互作用的影响也是不可忽略的.通过理论计算值和实验值的比较,证实了在Cr3 ∶MgAl2O4晶体中Jahn-Teller效应的存在,解释了该晶体的光谱精细结构的成因.     

对比分析三角Pr3+中心在CsCdBr3和GdCl3晶体中的能级分裂

以Racah的群表示论和Slater的波函数理论为基础,分别建立了4f2组态离子Pr3+在三角晶体场C3v和C3h中的91×91完全能量矩阵,并对Pr3+离子掺杂在卤化物CsCdBr3和GdCl3中的Stark能级做了计算与分析. 结果显示计算值与实验值吻合很好,表明在分析由稀土离子掺杂体系的能级分裂时,完全能量矩阵方法是有效的方法. 此外,将两种具有不同点群对称的体系的能级分裂情况作了比较,结果显示六阶晶体场参量对能级分裂的影响是不能忽略的,而且CsCdBr3:Pr3+和GdCl3:Pr3+将产生不同程度的畸变.     

YAG∶Cr^3＋晶体的基态能级分裂及扬-特勒效应

应用不可约张量法和群的理论构造了三角对称晶场中3d3/3d7态离子的可完全对角化的120阶微扰哈密顿矩阵。矩阵中考虑了自旋-轨道相互作用,自旋-自旋相互作用和自旋-其他轨道相互作用,利用该矩阵计算了YAG∶Cr3 晶体的基态能级、零场分裂参量,研究了自旋二重态对基态能级的贡献,理论计算值与实验值相符合,证明二重态对基态的贡献是不可忽略的。在此基础上,进一步研究了自旋-轨道相互作用、自旋-自旋相互作用和自旋-其他轨道相互作用对YAG∶Cr3 晶体的光谱精细结构和零场分裂参量的影响,发现自旋-自旋和自旋-其他轨道相互作用对YAG晶体基态光谱精细结构和零场分裂参量的影响都是不可忽略的。通过理论计算值和实验值的比较,证实了在YAG∶Cr3 晶体光谱中扬-特勒效应的存在。     

白光和红绿蓝光LED可调光源研制

为了提高LED光源色温和亮度的调节精度和准确度,结合色温由低向高变化时光色所呈现的渐变特点,提出了一种低色温白光LED灯珠、高色温白光LED灯珠加红绿蓝光LED灯珠补偿式调光的方法.将色温分成三个部分进行调节,每个部分选用不同的LED灯珠组合来进行调光.实验结果表明:不同组合情况下的LED光源的初始输出色温相对于目标值的偏差范围在1％以内;亮度可以在保证色温不变的情况下独立进行调节,初始输出值与目标值的偏差范围在1％以内;经过微调之后可以达到目标值;达到了色温和亮度独立调节的要求;光源发光稳定,不会因为长时间工作而影响调节精度.     

Visualization and interferometry for cylindrical and spherical sample tomography and profilometry

A technique combining image processing and laser interferometry for visualizing and detecting the deformation of transparent cylindrical and spherical sample is proposed. This deformation includes geometric deformation such as volume transition in profilometry and physical deformation such as refractive index change in tomography. Phase contour lines are used for quantitative analysis and graphical representation of the deformation. This method allows us to visually detect the spatial variation of the deformation field and to evaluate the test quality such as misalignment of optical system. A theoretical analysis using phase contour map to characterize the deformation field is described in detail. A method using phase contour map to qualify the interferometric test is proposed. Analysis of test examples is carried out. Suggestions on using phase contour line method to ameliorate test system design are finally discussed.     

Nonlocal potentials and their exact and approximate local and velocity-dependent equivalents

We show that good approximations to the exact equivalent local potential (ELP) and damping factor of a nonlocal Perey-Buck potential can be calculated in the partial wave WKB approximation of Horiuchi. The exact ELP and damping factor are obtained by means of a method previously given by one of us. We also confirm that an approximate ELP proposed by Bauhoff et al. is of comparable accuracy as the Horiuchi approximation. Thesel-dependent ELP's exhibit reduced attraction in the interior and provide a test for higher order WKB approximations. We subsequently obtain an equivalent velocity dependent potential (EVDP) which is even exactly wave function equivalent to the original nonlocal potential. This almost local potential, unlike the trivial equivalent local potential, is smooth and well-behaved and is therefore particularly useful in nuclear reactions where the off-shell behaviour of the potential is important.     

Quantum and Classical Disparity and Accord

Discrepancies and accords between quantum (QM) and classical mechanics (CM) related to expectation values and periods are generally found for both the harmonic oscillator (SHO) and a free particle in a box (FPB), which may apply generally. These indicate non-locality is expected throughout QM. The FPB energy states violate the Correspondence Principle. Previously unexpected accords are found and proven that 〈x ²〉 _CM =〈x ²〉 _QM and τ _CM =τ _QMb (beat period i.e. beats between the phases for adjoining energy states) for the SHO for all quantum numbers, n. However, for the FPB the beat periods differ at small n. It is shown that a particle’s velocity in an infinite square well varies, no matter how wide the box, nor how far the particle is from the walls. The quantum free particle variances share an indirect commonality with the Aharonov-Bohm and Aharonov-Casher effects in that there is a quantum action in the absence of a force. The concept of an “Expectation Value over a Partial Well Width” is introduced. This paper raises the question as to whether these inconsistencies are undetectable, or can be empirically ascertained. These inherent variances may need to be fixed, or nature is manifestly more non-classical than expected.     

Muonic and pionic L- and M-series in carbon and oxygen and the pionic 2p level shift and width of oxygen

Muonic and pionic X-rays of the L- and M-series in C and O have been measured with a Si(Li) detector in the energy range between 7 keV and 60 keV. The target consisted of mylar (C₅H₄O₂). Energies and intensities of 21 transitions have been determined. The strong interaction shift of the pionic 2p level in O was measured and found to be +4.1 ±2.3 eV. The measured width of this level is 11±6 eV. The measured yields have been compared with cascade calculations.     

Atomic and electronic structures and stability of icosahedral nanodiamonds and onions

The relative stability of alternative carbon nanoparticles with icosahedral symmetry, such as diamond-like nanocrystallites and multiwalled fullerenes (onions), is investigated using the parametric model and the density functional tight-binding (DFTB) method. It is demonstrated that an increase in the size of particles and their hydrogenation favor the stabilization of diamond-like nanocrystallites. The formation of “intermediate” nanostructures consisting of diamond-like nanocrystallites inside the fullerene cage is revealed. The electronic spectra of icosahedral carbon nanoparticles are calculated.