钙钛矿型晶体A(B1/31B2/32)O3中的有序-无序相变

本文利用原子集团变分方法,讨论了A⁺²(B_1/3⁺²B_2/3⁺⁵)O₃系统中有序-无序相变,指出在此系统中相互作用能参数对形成(B_2/3⁺²B_1/3⁺⁵)_1/2:B_1/2⁺⁵=1:1的混合型有序畴和B_{1/3关键词：}     

硅中三空位V3-的超精细相互作用的理论计算

利用Koster-Slater的格林函数方法,计算了硅中三空位V₃^-的电子态能级和波函数.结果表明,V₃^-在禁带中有五条能级:E_(A2)=0.417eV,E_(B1)=0.492eV,E_(B2¹)=0.512ev, E_(A1)=0.532eV,E_(B2²)=0.608eV.根据算得的超精细相互作用常数同实验值的比较,定出V₃^-处于B₁态.V₃^-的B₁态点据第1壳层的几率为60.2％,但主要集中在三空位所确定的平面内的二个原子上. 关键词：     

相互作用能量参数对A(B1/21B1/22)O3系统有序畴形成的影响

本文利用有序-无序相变理论讨论了A(B_1/2¹B_1/2²)O₃系统中的有序-无序相变,半定量地研究了在A(B_1/2¹B_1/2²)O₃系统中相互作用能参数对形成B¹:B²=1:1有序畴的影响,理论计算结果与实验结果基本一致。 关键词：     

掺Gd3+钼酸盐AMoO4 (A=Ca,Sr, Ba,Pb)自旋哈密顿参量的理论计算

采用基于单电子晶体场机制的对角化能量矩阵方法, 计算了Gd³⁺在钼酸盐AMoO₄ (A=Ca, Sr, Ba, Pb)晶体中的自旋哈密顿参量(g因子g_//, g_⊥和零场分裂b₂⁰, b₄⁰, b₄⁴, b₆⁰, b₆⁴). 矩阵中的晶体场参量采用重叠模型计算. 计算结果显示, 应用三个合理的可调参量[即重叠模型中的内禀参量A₂ (R₀), A₄ (R₀)和A₆ (R₀)], 计算的七个自旋哈密顿参量与实验结果符合甚好, 表明该方法可用于计算或解释Gd³⁺在晶体中的自旋哈密顿参量. 关键词： AMoO₄ (A=Ca,Sr,Ba,Pb):Gd³⁺晶体')" href="#">AMoO₄ (A=Ca,Sr,Ba,Pb):Gd³⁺晶体 自旋哈密顿参量 晶体场理论 对角化能量矩阵     

低对称性晶场中3d5离子零场劈裂常数的计算

作为文献[4]的自然推广,本文讨论了低对称性(C_4v或D_4h,C_3v或D_3h)晶场中3d⁵离子零场劈裂常数D值的计算。给出D值依赖于Racah参数、晶场参数和自旋-轨道耦合常数ξ的表示式。用于α-Al₂O₃晶体中Fe³⁺,离子D值的计算,结果与实验值能够较好地符合。 关键词：     

立方磁晶各向异性对面内磁场中条畴和磁泡稳定性的影响

在八个(111)面磁泡膜上,观察了施加面内(in-plane)磁场后在不同晶轴方向上条状畴的消失过程,测量了条畴消失场H_s^*和磁畴消失场H_k^*与面内磁场的方向的关系。本文计及立方磁晶各向异性,完善了面内磁场中条畴的稳定性理论。用该理论定性地解释了实验结果的主要特点。导出了H_s^*与立方各向异性及面内场方向的两种近似的理论关系,它们分别适用于面内场方向靠近和不十分靠近〈110〉晶轴的情形。它们和实验结果是大致符合的。在〈110〉晶轴上,理论关系具有下列简单的形式:H_k^*<110>=H_s^*<110>=H_k{1+(k₁/2K_u)-[al/h(4πM_s/H_k)²]^2/3},此式与实验结果符合得相当好。 关键词：     

ZnAl2O4:Cr3+晶体4A2基态ZFS及其三角晶格畸变研究

用对角化哈密顿矩阵的方法,借助New man晶场叠加模型,研究了ZnAl₂O₄:Cr³⁺晶体的基态零场分裂(ZFS)及其电子光谱,理论结果与实验一致.定量研究表明,掺杂晶体ZnAl₂O₄:Cr³⁺中,络离子(CrO₆)^9-局域结构应有压缩的三角畸变(△θ=3.06°).同时指出,自旋二重态对⁴A₂基态ZFS参量b₂⁰的贡献不可忽略,而对g因子的贡献甚微.     

面内场和静态偏磁场作用下条畴和泡畴的稳定性

实验研究面内场H_in和静态偏磁场H_b作用下,(111)面磁泡膜内条畴的消失过程。保持H_b恒定,增加H_in,测量条畴消失场H_s^*和泡畴消失场H_k^*与面内场方向β的变化关系。计及立方磁晶各向异性的影响,建立H_in和H_b共同存在时的条畴稳定性理论。定性解释了实验的主要特点。导出黑、白条畴同时消失时的角度 β_n=1/3(2nπ±arc cos│3/(2^1/2)(M_sH_b)/K₁│)(n=0,±1,±2,…)与实验基本符合。 关键词：     

Ni(C3H10N2)2NO2(ClO4)晶体的ESR研究

报道了Ni(C₃H₁₀N₂)₂NO₂(ClO₄)晶体在T=1.5K温度和W波段的ESR实验.建立了d⁸离子基态³A₂(F)的零场分裂参量D,E,和g因子与斜方对称晶场势参量间的关系,并应用于Ni(C₃H₁₀N₂)₂NO₂(ClO₄)晶体.计算值与实验数据符合很好,表明所给关系式是合理的.     

BCl3振动激发弛豫的红外吸收研究

本工作用红外双共振技术测量了BCl₃分子的振动激发态吸收光谱。观察了分子间的多种弛豫过程及能量转移过程。得到关系式Pτ_V-V^(11BCl₃)=3微秒·托。观察到径向声波对双共振信号的调制,声速为2×10⁴厘米/秒,与计算值相符。 关键词：     

Determination of crystalline electric fields in RERh4B4 compounds

Using the Mössbauer effect of ¹⁵⁵Gd, the quadrupole interaction in GdRh₄B₄ has been measured, which yields the A⁰₂ term in the crystalline electric field Hamiltonian to be 1165 ± 100 K/a.u. Using this, the B⁰₂ terms for the other RERh₄B₄ (RE = Gd to Tm) have been deduced, and the physical properties predicted by the resulting Hamiltonian are compared with the experimental results.     

Photoluminescence study in Ce activated M6B5AlO15 (M = Sr,Ca, Ba) and mixed host aluminoborate phosphors

In this paper we report the modified solid state synthesis of Ce³⁺ activated Sr₆B₅AlO₁₅, Ca₆B₅AlO₁₅ Ba₆B₅AlO₁₅ and mixed host aluminoborate phosphors. The prepared phosphors were characterized by photoluminescence technique. The PL excitation spectra showed the excitation peaks ranging from 300 to 400 nm and emission spectra are observed in UV-blue region of spectrum and it varied for different hosts. This kind of emission is due to 4f⁶5d → 4f⁷ transition of Ce³⁺ ion. Further PLE and PL emission spectra for various compositions Ca₅Sr₁B₅AlO₁₅, Ca₄Sr₂B₅AlO₁₅, Ca₃Sr₃B₅AlO₁₅, Ca₂Sr₄B₅AlO₁₅, CaSr₅B₅AlO₁₅ are also taken which shows Ce³⁺ emission at 428 nm, 425 nm, 432 nm, 427 nm, 438 nm respectively. The calculated ²F_J (J = 7/2, 5/2) energy gap of Ce³⁺ in all hosts have been calculated and obtained values for Sr₆B₅AlO₁₅, Ba₆B₅AlO₁₅ phosphors are 1888 cm⁻¹ and 1330 cm⁻¹ respectively. PL emission spectra of mixed host aluminoborates have shown slight variations in positions of emission peaks.     

Magnetic hyperfine fields for Sn atoms in rare-earth intermetallides: huge deviation from proportionality between Bhf and Sz

The magnetic hyperfine fields for ¹¹⁹Sn impurity atoms, localized in Ga sites of ferromagnetic intermetallic compounds RGa (R=Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, and Tm), were measured by the Mössbauer spectroscopy technique. At T=5 K, the hyperfine field value (B_hf) varies from 3.3 T in TmGa to 28.0 T in GdGa. Huge deviation from the proportionality between B_hf and the projection of the R³⁺ ion spin (S_z=(g−1)J) was found. As the atomic number of the R element increases, the B_hf/S_z ratio drastically decreases from 12.6 T for PrGa to 3.3 T for TmGa. This unexpected result can be explained by the strong dependency of B_hf value on the relationship between the Sn-R atomic separation (R_nn) and the radius of the magnetic 4f shell (R_4f). In the framework of this concept, the available experimental data for Sn atom in the rare-earth compounds with non-magnetic sp elements were considered. The data may be described by the universal dependency on the single parameter, λ=R_nn/R_4f.     

Limitation of semi-empirical mo-calculations in deriving charge densities ρ(0) in iron-oxygen compounds

For fifteen iron-oxygen compounds we carry out semi-empirical MO cluster calculations. The derived electronic structure is used to calculate electron charge densities ρ(0) and electric field gradients V_pq at the iron nucleus. The ρ(0)-values correlate with experimental isomer shifts δ, however, extreme cases like the Fe(VI)-compound BaFeO₄ are beyond the scope of accuracy of our method. We discuss variations of our calculational method, with one of them leading to ρ(0)-values for all fifteen compounds (including BaFeO₄) which satisfy the relation Δδ = αΔρ(0). The isomer shift calibration constant is in the range -0.195 mms^?1a₀³ to -0.25 mms^?1a₀³. Calculated quadrupole splittings are comparable with experimental data.     

Optische Absorptionsspektren und Kristallfeldaufspaltungen des Er3+-Ions in YPO4 und YVO4

The optical absorption spectra of trivalent erbium in isostructural single crystals of YPO₄ and YVO₄ have been obtained between 14000 and 29000 cm^?1. The observed crystal field splittings are interpreted in terms of crystal potentials of symmetryD _2d. From the positions of 33 Stark components the five crystal field parametersB ₀ ² , B ₀ ⁴ , B ₀ ⁶ , B ₄ ⁴ andB ₄ ⁶ have been determined. The values of the parameters for Er³⁺:YPO₄ are significantly different from those of Er³⁺:YVO₄.     

GdOBr∶Eu晶场参数与自由离子参数的高压研究

在GdoBr∶Eu的常压和高压荧光谱实验数据基础上，对晶场能级及其重心进行了拟合计算，得到了晶场参数和自由离子参数（Slater参数和自旋 轨道耦合参数）在高压下的变化情况．计算结果表明，随压力增大，晶场参数B⁴₀，B⁶₀增大，B⁶₄减小，B²₀，B⁴₄的变化有些起伏．晶场强度在8GPa以 关键词：     

Hyperfine structure investigations of some odd levels of Co I by level crossing and optical methods

Using the level crossing technique the ratios and absolute values of the hyperfine structure (hfs) constants of the levelsz ⁴F_9/2 andz ⁴F_7/2 of the configuration 3d ⁷4s4p of Co I were measured:z ⁴ F _9/2: ¦A¦=(811±12)MHz; ¦B¦=(48±93) MHz;B/A=?0.06±0.11 A>0; B<0z ⁴ F _7/2: ¦A¦ = (659 ±11)MHz; ¦B¦=(33±84)MHz;B/A=?0.05±0.13 A>0; B<0. In addition the hfs constants of three other excited levels of Co I could be determined by optical methods:z ⁴ F _9/2:A=525±26 MHz;B=200 MHzy ⁴ F _9/2:A=300±30 MHz;B=?500 MHzy ⁴ G _11/2:A=315±20 MHz;B=400 MHz. The experimental results are compared with known experimental and also with theoretical values which where calculated using the parametric potential method.     

Lattice dynamics of ZnGeP2 and AgGaS2 in a tensor-charge model

A tensor-charge model is developed for the lattice dynamics of the ternary compounds A²B⁴C ₂ ⁵ and A¹B³C ₂ ⁶ . The long-wavelength phonon frequencies are calculated for ZnGeP₂ and AgGaS₂ crystals. The tensor-charge parameters are determined by comparing the theoretical and experimental values of the infrared intensities of active frequencies. In the crystal ZnGeP₂, the tensor charges of the zinc and phosphorus are found to be close to the isotropic charges of the point-ion model, while the tensor charge of germanium is very different from the point-ion charge. In the AgGaS₂ crystal, the tensor charges of all the atoms differ appreciably from the point-ion charges. The results are discussed from the point of view of the chemical bond.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 40–44, September, 1980.     

A novel design approach for the epitaxial layer for 4H-SiC and 6H-SiC power bipolar devices

The paper evaluates the optimal design of the low-doped base region inside power diodes and other bipolar devices. It is demonstrated theoretically that a low-doped base region of P⁺N⁻N⁺ diodes can provide a high breakdown voltage and an optimal on-resistance . A simple, accurate and CPU timesaving approach is presented to extract an optimal value for the base region width, W_B, and its doping concentration, N_D. The paper details an analytical relation between W_B and N_D, and gives a method for quantifying the trade-off between their values for a given breakdown voltage and for obtaining the minimal on-resistance. Analytical results are confronted with experimental results for 4H-SiC- and 6H-SiC-based diodes.     

Energy band structure and modulation spectra of A2B4C25 semiconductors

The results of the energy band structure calculations of A²B⁴C₂⁵ compounds are reviewed, and the differences in the energy spectra passing from A³B⁵ semiconductors to their closest ternary analogs are described. The origin of the lowest conduction band minima of A²B⁴C₂⁵ compounds was determined from the slopes of the fundamental absorption edge and the pressure coefficients of the energy gap. The investigations of the valence band structure from electroreflectance (ER), thermoreflectance (TR) and wavelength modulated absorption (WMA) spectra are reviewed. In the higher energy region the ER and TR spectra of A²B⁴C₂⁵ compounds were found to be more complicated in comparison with those of their binary analogs. A model of an assignment of the structures in optical spectra of A²B⁴C₂⁵ compounds is discussed.