CsNiCl3晶体的光谱精细结构、零场分裂参量及Jahn-Teller效应

应用不可约张量理论构造了三角对称晶场中3d²/3d⁸态离子的45阶可完全对角化的微扰哈密顿矩阵，研究了CsNiCl₃晶体的光谱精细结构、晶体结构、零场分裂参量、Jahn-Telller效应以及自旋单重态对Ni²⁺离子基态能级的影响，理论与实验相符合.在此基础上，进一步研究了以前工作中被忽略的自旋-自旋耦合作用和Trees修正对CsNiCl₃晶体的光谱精细结构和零场分裂参量的影响，发现有四种机理会影响零场分裂参量：1)自旋-轨道耦合机理，2)自旋-自旋耦合机理；3)自旋-轨道与自旋-自旋联合耦合机理；4)自旋-轨道与Trees修正联合耦合机理，其中自旋-轨道耦合机理是最主要的，其他三种机理也是不可忽略的. 关键词： 基态能级 精细结构 零场分裂 自旋-自旋耦合     

GeFe2O4晶体的基态能级和零场分裂参量

GeFe₂O₄是一种单晶化合物，考虑到由3个〈111〉方向之一的一个 轴，从一个中心位置 到另一个中心位置之间，以Fe²⁺离子为中心离子和O^2-为配体构 成了三角（C 3v）对称体系.利用不可约张量理论，建立了3d⁴/3d⁶离子三角（C3 v）对称的晶体场和 自旋相互作用哈密顿矩阵，因此，由完全对角化的晶体场和自旋-轨道相互作用哈密顿矩阵 和电子顺磁共振理论公式求出单晶GeFe₂O₄中Fe²⁺离子 的电子顺磁共振零场分 裂参量D和F-a.并研究了自旋三重态对电子顺磁共振（EPR）零场分裂的贡献.结果显示自旋 三重态对基态零场分裂的贡献是较强的，理论计算结果与实验值相符. 关键词： 自旋三重态 晶体场 低自旋态 高自旋态 零场分裂     

掺入Mg2+对CsNiCl3晶体的基态能级、零场分裂参量及Jahn-Teller效应的影响

应用不可约张量理论构造了三角对称晶场中3d²/3d^８态离子的45阶可完全对角化的微扰哈密顿矩阵，在考虑了以前工作中被忽略的自旋-自旋耦合作用的基础上计算了CsNiCl₃晶体和CsNiCl₃:Mg²⁺晶体的基态能级、晶体结构、零场分裂参量和Jahn-Teller效应，研究了掺入Mg²⁺对CsNiCl₃晶体的光谱、零场分裂参量及Jahn-Teller效应的影响和自旋单重态对基态能级的贡献，发现掺杂使得晶体结构产生畸变，从而改变晶体光谱的精细结构和零场分裂参量，不改变Jahn-Teller效应的分裂规律但改变分裂的大小. 关键词： 基态能级 掺杂 零场分裂 自旋-自旋耦合     

ZnS:Cr2+中局域晶格结构和自旋单态对零场分裂参量的贡献

在统一配体场耦合图像的基础上,构造了d⁴电子组态过渡金属离子在强场图像下包括所有自旋状态的210×210维完全能量矩阵.通过对角化完全能量矩阵,研究了Cr²⁺掺杂ZnS的局域晶格结构和Jahn-Teller能.理论计算结果与实验值符合非常好.同时,还研究了Cr²⁺掺杂ZnS后体系自旋单态对零场分裂参量的贡献.结果表明:自旋单态对二阶零场分裂参量D的贡献可以忽略,但是对于四阶零场分裂参量a和F的贡献却 关键词： 2+')" href="#">ZnS:Cr²⁺ 统一配体场耦合 自旋单态 Jahn-Teller能     

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.     

BeAl2O4:Cr3+的晶场能级

金绿宝石中镜对称格位上Cr³⁺(Ⅱ)离子的⁴T₂,⁴T₁和²E能级与该材料的激光运转有关。⁴T₂和⁴T₁能级各分裂成三个子能级。为从偏振吸收谱上确定BeAl₂O₄:Cr³⁺的能级图,本文计算了⁴T₂和⁴T₁的分裂,找到了对谱方法,得到了表征能级分裂的参量K_{1和K2的值。最后给出了以低点群不可约表示标号的、BeAl2O4:Cr³⁺(Ⅱ)的晶场能级图。 关键词：}     

Cr3+掺杂的Cd3Al2Ge3O12光谱特性及晶场参数计算

采用高温固相法合成了Cd₃Al₂Ge₃O₁₂：Cr³⁺多晶材料,利用X射线衍射对其结构进行了分析,通过Cr³⁺的室温吸收光谱、室温和77K发射光谱分别对其光谱特性和晶场参数进行了分析和计算.结果表明：在450 nm的蓝光激发下,Cd₃Al₂Ge₃O₁₂：Cr³⁺室温发 关键词： 3Al₂Ge₃O₁₂：Cr³⁺')" href="#">Cd₃Al₂Ge₃O₁₂：Cr³⁺ 荧光光谱 晶场参数 可调谐激光     

Cr3+掺杂的Ca3Al2Ge3O12石榴石的光谱性质

在此报告钙铝锗石榴石Ca₃Al₂Ge₃O₁₂中Cr³⁺离子的光谱特性,依据不同浓度的样品在不同温度下发射光谱的实验结果,分析了不等价Cr³⁺发光中心零声子线R₁,R₂的位置变化情况。通过对Cr³⁺吸收和发射光谱的分析,估算了Cr³⁺所处格位的晶场强度参数Dq和Racah参数,同时,对低温下Cr³⁺R线边带振动光谱的精细结构的起因进行了分析和指认。在室温和低温下测得Cr³⁺的⁴T₂→⁴A₂和²E→⁴A₂能级跃迁的荧光衰减为单指数规律。     

KCdF3晶体中Cr3+-Li+中心局域结构研究

利用零场分裂参量与晶体结构之间的定量关系,研究了双掺杂晶体KCdF₃:Cr³⁺,Li⁺的局域结构。指出,对于KCdF₃:Cr³⁺,Li⁺晶体,四角晶场的形成包含两个方面:(1)由于电荷补偿而产生的等效电荷形成的四角对称晶场;(2)Cr³⁺的局域结构发生晶格畸变而产生的四角对称晶场。事实上,当Cr³⁺和Li⁺掺入KCdF₃晶体时,Cr³⁺代替了Cd²⁺离子;由于Cr³⁺离子与Cd²⁺离子的半径不同、电荷不同、质量不同,导致Cr³⁺的局域结构发生晶格畸变,由此而产生四角对称晶场;由于电荷补偿,Li⁺离子取代了[001]方向与Cr³⁺离子邻近的Cd²⁺离子,由此产生的等效电荷而形成的四角晶场。这样,Cr³⁺的局域结构由O_h对称变为C_4v点对称。文中建立了ZFS参量和晶体结构之间的定量关系。在考虑晶格畸变和等效电荷的基础上,研究了KCdF₃:Cr³⁺,Li⁺晶体的ZFS参量,理论结果和实验符合很好。得到了F^-离子向中心离子分别移动为ΔR₁=0.00268nm,ΔR₂=0.001nm,ΔR₃=0.00165nm。     

Cr3+:Al2O3透明多晶陶瓷光谱特性分析

对透光性良好的Cr³⁺:Al₂O₃透明多晶陶瓷的光谱性能 进行了研究，其吸收光谱中吸收峰与单晶红宝石相一致，按吸收光谱和Tanabe-Sugano能级 图，算出其晶场强度参数D_q及Racah参数B分别为1792cm^-1， 689cm ^-1，D_q/B=2.6，陶瓷中Cr³⁺离子所处格位的晶体场强 比单晶弱一些，但Cr³⁺:Al₂O₃透明陶瓷仍属于强场晶 体材料；当Cr³⁺掺杂浓度到达0.8wt%时，陶瓷的发射谱仍保持较好的R线发射 ；随Cr³⁺掺杂浓度的增大，激发峰位发生“红移”.在Cr³⁺:Al₂O₃透明多晶陶瓷的荧光谱上，发现一个波长为670nm的发射峰，经激发 谱确认为Cr³⁺的发射峰. 关键词： 氧化铝 透明陶瓷 离子格位 光谱性质     

Fluorescence spectra and homogeneous line widths of Cr in glass nucleating ferroelectric Li2Ge7O15

We report optical studies of the new material – Cr³⁺-doped lithium–germanate glass, containing Li₂Ge₇O₁₅ (LGO) nanocrystalline particles. While only broadband ⁴T₂–⁴A₂ fluorescence from the low-field octahedral Cr³⁺ sites was observed from Cr³⁺ ions in the glass, in LGO nanocrystals high-field Cr³⁺ centers emit ²E–⁴A₂ (R–lines) fluorescence. The process of crystallization in the course of isothermal annealing of glasses was monitored spectroscopically and the nucleation of LGO crystallites was observed starting from the smallest clusters. Using the ²E–⁴A₂ fluorescence spectra it is possible to detect the ferroelectric phase transition in LGO:Cr³⁺ nanocrystals, whose critical temperature was found to be similar to that of the bulk crystals. Long-lived spectral holes were burned in the inhomogeneously broadened R-lines of Cr³⁺ in LGO nanocrystals at low temperatures. The linear temperature dependence of hole widths shows that the homogeneous broadening of ⁴A₂–²E transitions of Cr³⁺ in nanocrystals is due to interaction of Cr³⁺ electronic levels with the two-level systems (TLS) of the surrounding glass. The range of the Cr³⁺-TLS elastic dipole–dipole interaction is estimated.     

Energy Spectrum of YAG:Cr3+ and Thermal Shifts of Its R Lines

Traditional ligand-field theory has to be improved by taking into account both “pure electronic” contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R₁, R₂, R'₃, R'₂, and R'₁ lines, U band, ground-state zero-field-splitting (GSZFS) and ground-state g factors as well as thermal shifts of R₁ line and R₂ line of YAG:Cr³⁺ have been calculated. The results are in very good agreement with the experimental data. In contrast with ruby, the octahedron of ligand oxygen ions surrounding the central Cr³⁺ ion in YAG:Cr³⁺ is compressed along the [111] direction. Thus, for YAG:Cr³⁺ and ruby, the splitting of t₂³⁴A₂ (or t₂³²E) has opposite order, and the trigonal-field parameters of the two crystals have opposite signs. In thermal shifts of R₁ and R₂ lines of YAG:Cr³⁺, the temperature-dependent contributions due to EPI are dominant.     

MoS_2电子屏蔽长度和等离激元

通过有效哈密顿量求解了单层MoS_2低能量区的电子薛定谔方程,分析得出电子能量本征值以及波函数、电子态密度以及电子间的屏蔽长度.发现电子能带分裂成两支导带和两支价带,并且其能带是准线性的.MoS_2的电子间的屏蔽长度非常大,高达10~8cm~(-1).利用费曼图形自洽方法,在无规相近似的基础上研究了单层二硫化钼电子系统的多体相互作用产生的等离激元.研究发现二硫化钼系统由于自旋的劈裂使得导带中存在两支自旋频率不同的等离激元,该元激发的特征与单层石墨烯和传统二维电子气的等离激元对波矢q的依赖关系是一样的,激发频率都正比于q~(1/2),并且随着电子浓度的增加激发频率增大.由于其准线性的能量色散关系,该系统等离激元的频率与电子浓度的变化关系非常不同于石墨烯和二维电子气的关系.自旋-轨道耦合对单层二硫化钼的能带结构和电子性质有重要的影响.研究发现,通过调控二硫化钼系统的电子浓度可以有效地调节该系统两支等离激元的频率.研究结果对理解二硫化钼的电子结构和性质,以及开发二硫化钼为基础的等离子器件有重要的研究和参考价值.     

Nature of intrinsic luminescence in the glasses of CaO–Ga2O3–GeO2 system

The intrinsic luminescence of glasses of the CaO–Ga₂O₃–GeO₂ system has been investigated. High chemical purity and optical quality glasses, both undoped and doped with transition and rare-earth ions with different compositions, were obtained by high-temperature synthesis. The influences of the basic glass composition, impurities (Cr³⁺, Mn²⁺, Eu²⁺, Nd³⁺, Ho³⁺, Er³⁺, and Ce³⁺) and different kinds of excitation, on the intrinsic luminescence of the CaO–Ga₂O₃–GeO₂ glasses were investigated. The nature and possible mechanisms of the intrinsic luminescence in glasses of this system are discussed. The proposed models of intrinsic luminescence are supported by electron spin resonance spectroscopy.     

CW and self-mode-locking performance of a red pumped Cr: LiSr0.8Ca0.2AlF6 laser

Reported is cw lasing and sub-100 femtosecond pulse generation in end-pumped Cr³⁺: LiSr_0.8Ca_0.2AlF₆, a congruently melting compound intermediate between Cr³⁺: LiSrAlF₆ and Cr³⁺: LiCaAlF₆. Using a dispersion compensated cavity with no active or passive mode-locking elements in the cavity, self-sustained stable modelocked pulses of 90 fs duration at 140 MHz repetition frequency were initiated by rocking of the output coupler.     

Double exchange model for RuSr2(Eu,Gd)Cu2O8

We propose a double exchange model to describe the RuO₂ planes of RuSr₂(Eu,Gd)Cu₂O₈. The Ru⁺⁵ ions are described by localized spins, and additional electrons provided by the superconducting CuO₂ planes are coupled ferromagnetically to them by Hund rules coupling. We calculate the spin structure factor, magnetic susceptibility and magnetization as a function of magnetic field and temperature, using a Monte Carlo algorithm in which the Ru⁺⁵ spins are treated as classical. Several experiments which seemed in contradiction with one another are explained by the theory.     

Reversible H2 passivation of Si ≡ Si3 interface defects in (1 1 1)Si/SiO2

K-band electron spin resonance (ESR) at 4.3 K has revealed the dipole-dipole (DD) interaction effects between [1 1 1]P_b centers (^*Si ≡ Si₃ defects with unpaired sp³ hybrid [1 1 1]) at the 2 dimensional (1 1 1)Si/SiO₂ interface. This has been enabled by the perfectly reversible H₂ passivation of P_b, which affects the defect's spin state. Sequential hydrogenation at 253–353°C and degassing treatments in high vacuum at 743–835°C allowed to vary the P_b density in the range 5 × 10¹⁰ < [P_b] (1.14 ± 0.06) × 10¹³ cm^-2. With increasing [P_b] fine structure doublets are clearly resolved. It is found that (1 1 1)Si/SiO₂ interfaces, dry thermally grown at ≈920°C, naturally comprise a ^*Si ≡ Si₃ defect density — passivated or not — of 1.14 × 10¹³ cm^-2.     

真空紫外光激发下Ce3+、Tb3+激活的BaCa2(BO3)2的发光性质

利用XRD、VUV及UV光谱等方法对Ce³⁺、Tb³⁺离子掺杂以及Ce³⁺、Tb³⁺离子共掺的3种BaCa₂(BO₃)₂荧光粉的相纯度、发光性质、浓度猝灭现象进行研究。结果表明:3种荧光粉在VUV波段有较好的吸收,基质吸收带位于140～190 nm范围。Ce³⁺在BaCa₂(BO₃)₂的最低4f5d跃迁带位置在360 nm附近,其5d→²F_J(J=5/2, 7/2)发射峰分别位于393,424 nm。Tb³⁺掺杂的样品在172 nm激发下的发射光谱由4个窄带组成,分别对应⁵D₄→⁷F_J(J=3,4,5,6)的跃迁,其中占主导位置的是⁵D₄→⁷F₅的跃迁,大约位于543 nm处,主要为绿光发射。在Ce³⁺,Tb³⁺离子共掺杂的BaCa₂(BO₃)₂光谱中,观察到Ce³⁺-Tb³⁺离子间有能量传递。