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Influence of the Jahn-Teller distortion on magnetic ordering in TbMn_(1-x)Fe_xO_3 被引量:2
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作者 靳金玲 张向群 +1 位作者 李国科 成昭华 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第10期451-455,共5页
The Jahn-Teller distortion plays an important role in determining the exchange interaction in rare-earth manganites.In this work we study the influence of the Jahn-Teller distortion on the magnetic structures of TbMn1... The Jahn-Teller distortion plays an important role in determining the exchange interaction in rare-earth manganites.In this work we study the influence of the Jahn-Teller distortion on the magnetic structures of TbMn1-xFexO3(x = 0,0.02,0.05,0.10,and 0.20) single crystals in the basal MnO2 plane.The decrease in the quadruple splitting with the increasing Fe doping indicates the reduction of the Jahn-Teller distortion,which makes the nearest neighboring(NN) FM interaction dominant over the next nearest neighbor(NNN) AFM interaction.This alteration is favorable for the development of A-type AFM ordering instead of the spiral magnetic ordering,which collapses when x ≥ 0.05.The analysis of dielectric data indicates that the ferroelectricity is arising from the peculiar spiral magnetic ordering. 展开更多
关键词 quadruple splitting jahn-teller distortion spiral magnetic ordering
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Mitigating the Jahn-Teller distortion driven by the spin-orbit coupling of lithium manganate cathode
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作者 Shu Zhang Hongyi Chen +8 位作者 Jun Chen Shouyi Yin Yu Mei Lianshan Ni Andi Di Wentao Deng Guoqiang Zou Hongshuai Hou Xiaobo Ji 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第9期379-387,I0011,共10页
Spinel LiMn_(2)O_(4)is recognized as one of the most competitive cathode candidates for lithium-ion batteries ascribed to environmentally benign and rich sources.However,the wholesale application of LiMn_(2)O_(4)is pr... Spinel LiMn_(2)O_(4)is recognized as one of the most competitive cathode candidates for lithium-ion batteries ascribed to environmentally benign and rich sources.However,the wholesale application of LiMn_(2)O_(4)is predominately plagued by its severe capacity degradation,mainly associated with the innate Jahn-Teller effect.Herein,single-crystalline LiMn_(2)O_(4)with Eu^(3+) doping is rationally designed to mitigate the detrimental Jahn-Teller distortion by tuning the chemical environment of MnO_(6) octahedra and accommodating localized electron,based on the unique aspheric flexible 4f electron orbit of rare-earth metal ions.Notably,the stretching of MnO_(6) octahedron stemmed from the Jahn-Teller effect in Eu-doped LiMn_(2)O_(4)is effectively suppressed,confirmed by theoretical calculation.Meanwhile,the structural stability of the material has been significantly enhanced due to the robust Mn–O band coherency and weakened phase transition,proved by synchrotron radiation absorption spectrum and operando X-ray diffraction.The corresponding active cathode manifests superior long-cycle stability after 300 loops at 2C and displays only a 0.011%capacity drop per cycle even at 5C.Given this,this modification tactic sheds new light on achieving superior long-cycle performances by suppressing distortion in various cathode materials. 展开更多
关键词 Spinel lithium manganate Spin-orbit coupling jahn-teller distortion Cathode material
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Linear magnetoresistance and structural distortion in layered SrCu_(4-x)P_(2) single crystals
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作者 聂勇 陈正 +10 位作者 韦文森 李慧杰 张勇 梅明 王园园 宋文海 宋东升 王钊胜 朱相德 宁伟 田明亮 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期591-594,共4页
We report a systematic study on layered metal SrCu_(4-x)P_(2) single crystals via transport, magnetization, thermodynamic measurements and structural characterization. We find that the crystals show large linear magne... We report a systematic study on layered metal SrCu_(4-x)P_(2) single crystals via transport, magnetization, thermodynamic measurements and structural characterization. We find that the crystals show large linear magnetoresistance without any sign of saturation with a magnetic field up to 30T. We also observe a phase transition with significant anomalies in resistivity and heat capacity at T_(p)~140 K. Thermal expansion measurement reveals a subtle lattice parameter variation near Tp, i.e.,?L_(c)/L_(c)~0.062%. The structural characterization confines that there is no structure transition below and above T_(p). All these results suggest that the nonmagnetic transition of SrCu_(4-x)P_(2) could be associated with structural distortion. 展开更多
关键词 linear magnetoresistance thermal expansion specific heat structural distortion
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Computational Quantification of Map Projection Distortion by Fractal Dimension of Coastlines
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作者 Franklin Lee 《Journal of Applied Mathematics and Physics》 2024年第5期1890-1903,共14页
Maps, essential tools for portraying the Earth’s surface, inherently introduce distortions to geographical features. While various quantification methods exist for assessing these distortions, they often fall short w... Maps, essential tools for portraying the Earth’s surface, inherently introduce distortions to geographical features. While various quantification methods exist for assessing these distortions, they often fall short when evaluating actual geographic features. In our study, we took a novel approach by analyzing map projection distortion from a geometric perspective. We computed the fractal dimensions of different stretches of coastline before and after projection using the divide-and-conquer algorithm and image processing. Our findings revealed that map projections, even when preserving basic shapes, inevitably stretch and compress coastlines in diverse directions. This analysis method provides a more realistic and practical way to measure map-induced distortions, with significant implications for cartography, geographic information systems (GIS), and geomorphology. By bridging the gap between theoretical analysis and real-world features, this method greatly enhances accuracy and practicality when evaluating map projections. 展开更多
关键词 Map Projection distortion COASTLINE Fractal Dimension CARTOGRAPHY Geographic Information Systems
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Jahn-Teller distortion assisted interstitial nitrogen engineering:Enhanced oxygen dehydrogenation activity of N-doped Mn_(x)Co_(3-x)O_(4) hierarchical micro-nano particles 被引量:1
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作者 Yangxin Jin Fengfeng Li +10 位作者 Peixin Cui Yun Yang Qingping Ke Minh Ngoc Ha Wangcheng Zhan Fei Ruan Chao Wan Zhao Lei Van Noi Nguyen Wei Chen Jun Tang 《Nano Research》 SCIE EI CSCD 2021年第8期2637-2643,共7页
Rational design of earth-abundant transition metal oxides catalysts is highly desirable for developing sustainable chemical processes.Herein,we demonstrate a prospective interstitial nitrogen engineering for fabricati... Rational design of earth-abundant transition metal oxides catalysts is highly desirable for developing sustainable chemical processes.Herein,we demonstrate a prospective interstitial nitrogen engineering for fabricating oxygen vacancies(OVs)-rich nitrogen-doped-Mn_(x)Co_(3-x)O_(4)(N-Mn_(x)Co_(3-x)O_(4))oxide catalyst,in which the ratio of OVs concentration of N-Mn_(x)Co_(3-x)O_(4)to Mn species is as high as 1:1,according to the characterizations of X-ray absorption(XAS)and X-ray photoelectron(XPS)spectroscopies.The promising strategy of interstitial nitrogen engineering through lattice distortion caused by the Jahn-Teller effect can significantly increase the amount of interstitial nitrogen.The resulting catalyst enables an additive-free aerobic dehydrogenation coupling of aromatic amine to afford azo compounds with>99%yield and>99%selectivity at 60☆.We observed the superb catalytic activity is promoted by the enhanced oxygen mobility in OVs,which were created by the interstitial nitrogen in the catalyst matrix.The presence of interstitial nitrogen in transition metal oxides in this study shows how the manipulation of catalyst matrix can increase the OV sites to promote aerobic oxidation reaction. 展开更多
关键词 transition metal oxides jahn-teller effect interstitial nitrogen engineering MnxCo_(3-x)O_(4) DEHYDROGENATION
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锰基钠离子电池正极材料Jahn-Teller效应抑制方法进展
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作者 王绍聪 李伟 +2 位作者 黄瑞琴 郭艺飞 刘峥 《储能科学与技术》 CAS CSCD 北大核心 2023年第1期139-149,共11页
本文对近些年国内外锰基钠离子电池正极材料Jahn-Teller效应抑制方法的研究成果进行了综述。目前抑制锰基电极材料Jahn-Teller效应方法主要有掺杂、包覆等。首先介绍钠离子电池正极材料中锰基层状过渡金属氧化物和Na_(2)MnPO_(4)F聚阴... 本文对近些年国内外锰基钠离子电池正极材料Jahn-Teller效应抑制方法的研究成果进行了综述。目前抑制锰基电极材料Jahn-Teller效应方法主要有掺杂、包覆等。首先介绍钠离子电池正极材料中锰基层状过渡金属氧化物和Na_(2)MnPO_(4)F聚阴离子型化合物晶体结构和电化学性能;重点介绍了掺杂和包覆两种抑制手段及抑制效果,研究表明掺杂可以调控锰离子价态,稳定其结构不发生畸变,因而掺杂在抑制Jahn-Teller效应方面优于包覆。掺杂的研究热点主要涉及金属阳离子掺杂、非金属阴离子掺杂、氧空位生成,而能有效将电极材料与电解液隔离的包覆也在一定程度上抑制Jahn-Teller效应。最后总结指出抑制Jahn-Teller效应最有效的方法还是从材料结构入手,通过控制Mn—O键长来保证材料结构不会发生扭曲,同时Mn^(3+)浓度也会相应降低。本文对于Jahn-Teller效应抑制方法的系统总结有望为日后提出新的抑制Jahn-Teller效应的方案提供理论基础。 展开更多
关键词 钠离子电池 聚阴离子化合物 正极材料 jahn-teller效应 锰离子
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DISTORTION THEOREMS FOR CLASSES OF g-PARAMETRIC STARLIKE MAPPINGS OF REAL ORDER IN C^(n)
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作者 刘红炎 涂振汉 熊良鹏 《Acta Mathematica Scientia》 SCIE CSCD 2023年第4期1491-1502,共12页
In this paper,we define the class S_(g)^(BX)of g-parametric starlike mappings of real order γ on the unit ball BX in a complex Banach space X,where g is analytic and satisfies certain conditions.By establishing the d... In this paper,we define the class S_(g)^(BX)of g-parametric starlike mappings of real order γ on the unit ball BX in a complex Banach space X,where g is analytic and satisfies certain conditions.By establishing the distortion theorem of the Fr´echet-derivative type of S_(g)^(BX)with a weak restrictive condition,we further obtain the distortion results of the Jacobi-determinant type and the Fr´echet-derivative type for the corresponding classes(compared with S_(g)^(BX))defined on the unit polydisc(resp.unit ball with the arbitrary norm)in the space of n-dimensional complex variables,n≥2.Our results extend the classic distortion theorem of holomorphic functions from the case in one-dimensional complex space to the case in the higher dimensional complex space.The main theorems also generalize and improve some recent works. 展开更多
关键词 Banach space distortion theorem of Jacobi-determinant type distortion theorems of the Frechet-derivative type g-parametric starlike mappings
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Out-of-plane weak ferromagnetism at room temperature in lattice-distortion non-collinear antiferromagnet of single-crystal Mn_(3)Sn
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作者 张博熙 宋平 +2 位作者 邓珊珊 娄理 姚森 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第8期428-432,共5页
Out-of-plane weak ferromagnetic(OWFM)spin arrangements with topological properties can realize a series of interesting physical properties.However,this spin structure tends to exist at low temperatures.The OWFM struct... Out-of-plane weak ferromagnetic(OWFM)spin arrangements with topological properties can realize a series of interesting physical properties.However,this spin structure tends to exist at low temperatures.The OWFM structure can also be induced at room temperature by hydrostatic pressure,whereas this isotropic approach tends to form helical AFM structures.We report the OWFM spin arrangement in single crystal Mn_(3)Sn by an anisotropic strategy of high-stressconstrained compression deformation at room temperature.Both experimental and theoretical simulation results show that the alignment of the OWFM spin structure is due to the distortion of the atomic scale caused by the strain energy during deformation.The OWFM spin arrangement can significantly change the magnetic property of Mn_(3)Sn.As a result,the remanent magnetization M_(r)for the deformed sample(0.056μ_(B)/f.u.)is about eleven times that for the pre-deformed sample(0.005μ_(B)/f.u.),and the coercivity(H_(c))increases from 0 k Oe(pre-deformed sample)to 6.02 k Oe(deformed sample).Our findings provide a way to generate the OWFM spin structure at room temperature and may give fresh ideas for creating antiferromagnetic materials with excellent physical properties. 展开更多
关键词 non-collinear antiferromagnet high-stress-constrained compression deformation lattice distortion
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Distortion Evaluation of EMP Sensors Using Associated-Hermite Functions
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作者 Rupo Ma Siping Gao 《Computers, Materials & Continua》 SCIE EI 2023年第1期1093-1105,共13页
Electromagnetic pulse(EMP)is a kind of transient electromagnetic phenomenon with short rise time of the leading edge and wide spectrum,which usually disrupts communications and damages electronic equipment and system.... Electromagnetic pulse(EMP)is a kind of transient electromagnetic phenomenon with short rise time of the leading edge and wide spectrum,which usually disrupts communications and damages electronic equipment and system.It is challenging for an EMP sensor to measure a wideband electromagnetic pulse without distortion for the whole spectrum.Therefore,analyzing the distortion of EMP measurement is crucial to evaluating the sensor distortion characteristics and correcting the measurement results.Waveform fidelity is usually employed to evaluate the distortion of an antenna.However,this metric depends on specific signal waveforms,thus is unsuitable for evaluating and analyzing the distortion of EMP sensors.In this paper,an associated-hermite-function based distortion analysis method including system transfer matrices and distortion rates is proposed,which is general and independent from individual waveforms.The system transfer matrix and distortion rate can be straightforwardly calculated by the signal orthogonal transformation coefficients using associated-hermite functions.Distortion of a sensor vs.frequency is then visualized via the system transfer matrix,which is convenient in quantitative analysis of the distortion.Measurement of a current probe,a coaxial pulse voltage probe and a B-field sensor were performed,based on which the feasibility and effectiveness of the proposed distortion analysis method is successfully verified. 展开更多
关键词 Electromagnetic pulse associated-hermite functions system transfer matrix distortion rate
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Distortion product otoacoustic emissions in newborn babies with and without late-term maternal iron deficiency anaemia
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作者 Deepashree Somanahalli Ramachandra Ajith Kumar Uppunda Kumar Gavali Suryanarayana 《Journal of Otology》 CAS CSCD 2023年第3期132-138,共7页
Background:Studies on animals have demonstrated that maternal iron deficiency anaemia(IDA)could result in decreased cochlear sensory hair cells and reduced amplitudes of distortion-product otoacoustic emissions(DPOAEs... Background:Studies on animals have demonstrated that maternal iron deficiency anaemia(IDA)could result in decreased cochlear sensory hair cells and reduced amplitudes of distortion-product otoacoustic emissions(DPOAEs)of young guinea pigs.Thus,it is essential to study the functioning of cochlear hair cells using DPOAEs in human newborn babies with maternal IDA.The current study explores maternal IDA’s effect on DPOAEs in newborn babies.Method:A total of 110 newborn babies with gestational age≥34 weeks were considered and a‘betweensubjects’design was used.The participants were divided into 3 groups-“Normal”(61 babies without maternal IDA),“Mild”(28 babies with mild maternal IDA)and“Moderate”(21 babies with moderate maternal IDA).The cord blood was collected and the DPOAEs were recorded for each baby for a range of frequencies(1 k 8 kHz)and a range of intensities(7040 dB SPL in 10 dB steps).Results:The analysis of both DP-gram and DP input-output(I/O)function showed that there was no significant difference(p>0.05)across the normal,mild,and moderate groups in the overall presence of DPOAEs as well as the amplitude across frequencies or intensities(7040 dB SPL).Also,the overall correlation of RBC indices with DPOAE amplitude across frequencies as well as the slope of the I/O function showed no relationship.Conclusion:The current study concludes that there is no effect of late-term maternal IDA on the DPOAEs of newborn babies. 展开更多
关键词 Maternal iron deficiency anaemia Newborn babies distortion product otoacoustic emissions Cochlear hair cell functioning Red blood cell indices HAEMOGLOBIN
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Pu_4^+的几何构型和Jahn-Teller效应 被引量:16
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作者 黄辉 李权 《原子与分子物理学报》 CAS CSCD 北大核心 2003年第3期409-412,共4页
在Pu原子的相对论有效原子实势下 ,用密度泛函B3LYP方法计算得到Pu+ 4 分子离子的 6种稳定的几何构型。计算表明Pu+ 4 的Td 构型不能稳定存在 ,详细讨论了Td 构型的Jahn Teller效应 ,讨论结果显示它们的各种畸变方式都符合群的分解原理 ... 在Pu原子的相对论有效原子实势下 ,用密度泛函B3LYP方法计算得到Pu+ 4 分子离子的 6种稳定的几何构型。计算表明Pu+ 4 的Td 构型不能稳定存在 ,详细讨论了Td 构型的Jahn Teller效应 ,讨论结果显示它们的各种畸变方式都符合群的分解原理 ,从而证明Pu+ 4 分子离子的Td 构型的Jahn Teller效应非常明显。D4h构型也存在Jahn 展开更多
关键词 几何构型 Pu4^+ jahn-teller效应
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富勒烯离子Jahn-Teller畸变和光谱研究进展 被引量:2
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作者 滕启文 吴师 《化学进展》 SCIE CAS CSCD 北大核心 2005年第6期949-954,共6页
MxC60(M=K、Cs、Rb)具有的超导性启发人们对C60n-和C70n-展开了深入研究。本文综述了富勒烯离子C60n±、C70n±、C76n±、C78n±及C80n±的结构畸变和光谱研究进展,介绍了国内外近十几年来众多研究小组的有关工作,... MxC60(M=K、Cs、Rb)具有的超导性启发人们对C60n-和C70n-展开了深入研究。本文综述了富勒烯离子C60n±、C70n±、C76n±、C78n±及C80n±的结构畸变和光谱研究进展,介绍了国内外近十几年来众多研究小组的有关工作,从实验检测到理论计算,从结构探讨到谱学性质研究,并结合作者在此方面的理论研究成果,进一步探索富勒烯离子Jahn-Teller畸变的特点和产生原因以及其电子光谱的规律性。 展开更多
关键词 富勒烯离子 jahn-teller畸变 电子光谱
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水稻内稃扭曲突变体palea distortion 1(pd1)的鉴定与基因定位 被引量:1
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作者 郭爽 李云峰 +3 位作者 任德勇 王增 杜青 何光华 《分子植物育种》 CAS CSCD 2011年第3期256-260,共5页
在对籼稻缙恢10进行EMS(ethyl methane sulfonate)处理后的群体中,发现一个花器官突变体,主要表现为内稃扭曲并呈现外稃化特征,浆片数目增加且呈现稃状特征,雄蕊数目减少至1~4个,部分雄蕊的花丝呈现浆片化特征,暂将其命名为水稻颖壳扭... 在对籼稻缙恢10进行EMS(ethyl methane sulfonate)处理后的群体中,发现一个花器官突变体,主要表现为内稃扭曲并呈现外稃化特征,浆片数目增加且呈现稃状特征,雄蕊数目减少至1~4个,部分雄蕊的花丝呈现浆片化特征,暂将其命名为水稻颖壳扭曲突变体palea distortion 1(pd1)。遗传分析表明该突变性状受一个隐形单基因控制。利用群体分离分析法(bulked segregation analysis,BSA),将PD1基因定位在第2染色体的RM13693和RM13936之间,遗传距离分别为3.25cM和3.90cM。该研究结果为PD1基因的图位克隆奠定了基础。 展开更多
关键词 水稻 palea distortion 1(pd1) 突变体 基因定位
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Cr^(3+)∶MgAl_2O_4晶体的基态能级分裂及Jahn-Teller效应 被引量:2
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作者 张雷 殷春浩 +1 位作者 黄志敏 焦杨 《光子学报》 EI CAS CSCD 北大核心 2007年第10期1893-1898,共6页
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... 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. 展开更多
关键词 分子光谱学 基态能级 晶体场理论 精细结构 零场分裂 jahn-teller效应
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锂离子电池正极材料Li_(1+x)Mn_(2-x)O_4的Jahn-Teller效应 被引量:8
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作者 徐融冰 鲁道荣 《合肥工业大学学报(自然科学版)》 CAS CSCD 北大核心 2007年第1期86-90,共5页
锂离子电池正极材料在循环过程中存在着容量衰减的问题,其中Jahn-Teller效应是锂离子电池正极材料尖晶石LiMn2O4在应用中容量衰减的难点。文章利用溶胶凝胶法制备富锂尖晶石Li1+xMn2-xO4,通过X射线衍射、晶格参数和cMn4+/cMn3+比值等参... 锂离子电池正极材料在循环过程中存在着容量衰减的问题,其中Jahn-Teller效应是锂离子电池正极材料尖晶石LiMn2O4在应用中容量衰减的难点。文章利用溶胶凝胶法制备富锂尖晶石Li1+xMn2-xO4,通过X射线衍射、晶格参数和cMn4+/cMn3+比值等参数,研究尖晶石LiMn2O4的Jahn-Teller效应;结果表明,当煅烧温度t=650℃,x=0.05时,有利于抑制Jahn-Teller效应。 展开更多
关键词 锂离子电池 jahn-teller效应 尖晶石Li1+xMn2-xO4
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C_4^(2+)分子的T(?)e系统的Jahn-Teller效应与各向异性现象 被引量:2
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作者 冯胜奇 《原子与分子物理学报》 CAS CSCD 北大核心 2011年第4期591-597,共7页
依据Jahn-Teller效应理论与量子理论,利用群论和对称性分析的方法探讨了具有T_d对称性构型的C_4^(2+)分子的T(?)e系统的Jahn-Teller效应与各向异性问题.构建了T(?)e系统的电声耦合哈密顿量,借助么正平移变换求出了系统的基态与激发态及... 依据Jahn-Teller效应理论与量子理论,利用群论和对称性分析的方法探讨了具有T_d对称性构型的C_4^(2+)分子的T(?)e系统的Jahn-Teller效应与各向异性问题.构建了T(?)e系统的电声耦合哈密顿量,借助么正平移变换求出了系统的基态与激发态及其能量.结果发现,由于电声耦合作用的缘故,系统发生了Jahn-Teller畸变,畸变导致在系统的势能面上形成了3个具有D_(2d)对称性的势阱.无论系统处在哪一个势阱中,系统原初三重简并的能级都将分裂为两条能级.畸变还导致C_4^(2+)分子从T_d对称性降低到D_(2d)对称性,同时C_4^(2+)分子的振动频率发生分解,而频率的分解致使C_4^(2+)分子的各向同性遭到破坏而呈现出各向异性. 展开更多
关键词 电声耦合 jahn-teller畸变 能级分裂 频率分解 各向异性
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PdY_4团簇:Eb_1系统的Jahn-Teller效应及其能级分裂 被引量:2
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作者 冯胜奇 《四川师范大学学报(自然科学版)》 CAS CSCD 北大核心 2011年第3期370-375,共6页
依据Jahn-Teller效应理论与量子理论,利用群论和对称性分析的方法探讨了具有C4v对称性构型的PdY4团簇的Eb1系统的Jahn-Teller效应及其相关问题.研究了PdY4团簇的电子态与声子态及其活跃声子态,构建了PdY4团簇的Eb1系统的电声耦合哈... 依据Jahn-Teller效应理论与量子理论,利用群论和对称性分析的方法探讨了具有C4v对称性构型的PdY4团簇的Eb1系统的Jahn-Teller效应及其相关问题.研究了PdY4团簇的电子态与声子态及其活跃声子态,构建了PdY4团簇的Eb1系统的电声耦合哈密顿量,借助么正平移变换计算出了畸变后的系统基态与激发态及其能量.结果表明:系统的Jahn-Teller畸变导致在系统的势能面上形成了2个对称性为C2v的势阱.无论系统处在哪一个势阱中,系统原初的二重简并的能级都将发生分裂,因此畸变导致系统能级的简并性完全被消除.最后,利用群论进一步探讨了系统的Jahn-Teller畸变方向等问题,发现畸变将导致系统从C4v对称性降低到C2v对称性,而畸变之后系统的电子基态应该是C2v群下的B1或者B2. 展开更多
关键词 电声耦合 对称性 么正平移变换 jahn-teller畸变 能级分裂
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Pu_4^+分子离子的几何构型与Jahn-Teller(英文) 被引量:1
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作者 卢红 李权 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2004年第4期411-414,共4页
在Pu原子的相对论有效原子实势近似下 ,用密度泛函B3LYP方法对Pu4 +分子离子的几何构型及其电子状态进行理论计算 ,得到了 6种稳定的几何构型 ,其中平面C2V结构最稳定 .Td 构型不能稳定存在 ,并详细讨论了Td 和D4h构型的Jahn Teller效... 在Pu原子的相对论有效原子实势近似下 ,用密度泛函B3LYP方法对Pu4 +分子离子的几何构型及其电子状态进行理论计算 ,得到了 6种稳定的几何构型 ,其中平面C2V结构最稳定 .Td 构型不能稳定存在 ,并详细讨论了Td 和D4h构型的Jahn Teller效应 ,讨论结果显示它们的各种畸变方式都符合群的分解原理 ,从而证明Pu4 +分子离子的Td 和D4h构型存在Jahn 展开更多
关键词 几何构型 Pu4^+ jahn-teller效应
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Fe^(2+)离子在III-V半磁半导体近红外光谱中的动态Jahn-Teller效应 被引量:5
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作者 周一阳 《四川师范大学学报(自然科学版)》 CAS CSCD 北大核心 2005年第4期444-447,共4页
介绍了3d4/3d6离子在立方晶体场中动态Jahn-Teller矩阵的推导,分析了动态Jahn-Teller效应对Fe2+在III-V半磁半导体InP和GaP中光谱的影响,计算结果与实验符合,表明在Fe2+半磁半导体中,比经典晶体场理论分析多出的许多分裂谱线是Fe2+离子... 介绍了3d4/3d6离子在立方晶体场中动态Jahn-Teller矩阵的推导,分析了动态Jahn-Teller效应对Fe2+在III-V半磁半导体InP和GaP中光谱的影响,计算结果与实验符合,表明在Fe2+半磁半导体中,比经典晶体场理论分析多出的许多分裂谱线是Fe2+离子与半导体晶格间的动态Jahn-Teller效应引起,还预测了其他Jahn-Teller效应分裂谱. 展开更多
关键词 动态jahn-teller效应 近红外光谱 Fe^2+离子 INP GAP
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具有D_(3d)对称性构型的B_2H_6分子的Jahn-Teller效应与各向异性分析 被引量:1
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作者 冯胜奇 《安徽大学学报(自然科学版)》 CAS 北大核心 2011年第4期60-67,共8页
依据Jahn-Teller(简写为J-T)效应理论与量子理论,利用群论和对称性分析的方法探讨具有D3 d对称性构型的B2H6分子的J-T效应及其相关问题。构建B2H6分子Eeg系统的电声耦合哈密顿量,利用么正平移变换将系统的哈密顿量分解为两部分,一部分... 依据Jahn-Teller(简写为J-T)效应理论与量子理论,利用群论和对称性分析的方法探讨具有D3 d对称性构型的B2H6分子的J-T效应及其相关问题。构建B2H6分子Eeg系统的电声耦合哈密顿量,利用么正平移变换将系统的哈密顿量分解为两部分,一部分是没有声子激发的哈密顿量,另一部分是有声子激发的哈密顿量。由此计算出Eeg系统的基态与激发态及其能量.结果表明:由于电声耦合作用的缘故,系统发生了J-T畸变,畸变导致在系统的势能面上形成了4个对称性为C2h的势阱.无论系统处在哪一个势阱中,系统原初二重简并的能级都将发生分裂,因此能级的简并性完全被消除.J-T畸变还导致B2H6分子从D3 d对称性降低到C2h对称性,同时B2H6分子的振动频率发生分解,而频率的分解致使B2H6分子的各向同性遭到破坏而呈现出各向异性. 展开更多
关键词 电声耦合 jahn-teller畸变 能级分裂 频率分解 各向异性
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