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500 个结果
  • 简介:ThesplittingofpotentialenergylevelsforgroundstateX2ΠgofOx2(x=+1,1)underspin–orbitcoupling(SOC)hasbeencalculatedbyusingthespin–orbit(SO)multi-configurationquasi-degenerateperturbationtheory(SO-MCQDPT).TheirMurrell–Sorbie(M–S)potentialfunctionsaregained,andthenthespectroscopicconstantsforelectronicstates2Π1/2and2Π3/2arederivedfromtheM–Sfunction.TheverticalexcitationenergiesforOx2(x=+1,1)areν[O+12(2Π3/2→X2Π1/2)]=195.652cm1,andν[O12(2Π1/2→X2Π3/2)]=182.568cm1,respectively.Allthespectroscopicdataforelectronicstates2Π1/2and2Π3/2aregivenforthefirsttime.

  • 标签: 分子结构 势能函数 自旋轨道耦合 电子态
  • 简介:当堂反馈1.压强是反映——物理量.一辆“东风牌”汽车对地面的压强是1.8×10^4Pa它所表示物理含义是——.

  • 标签: 压强 物理量 东风牌
  • 简介:测量了ZnO-TiO2-Bi2O3-CuO-Co2O3,ZnO-TiO2-Bi2O3-CuO-Cr2O3,ZnO-TiO2-Bi2O3-CuO-MnO2和ZnOTiO2-Bi2O3-CuO-MnO2-Co2O3-Cr2O3压敏陶瓷正电子寿命谱及其电性能参数。研究了MnO2、Co2O3和Cr2O3掺杂对ZnO-TiO2-Bi2O3-CuO压敏陶瓷电子密度和电性能影响。实验发现:ZnO-TiO2-Bi2O3-CuOCr2O3压敏陶瓷基体和晶界缺陷态电子密度均最高,其压敏电压最低;ZnO-TiO2-Bi2O3-CuO-MnO2压敏陶瓷晶界缺陷态电子密度最低,其压敏电压比前者高;ZnO-TiO2-Bi2O3-CuO-Co2O3压敏陶瓷基体(晶粒内)电子密度最低,其压敏电压较高;而ZnO-TiO2-Bi2O3-CuO-MnO2-Co2O3-Cr2O3压敏陶瓷基体和晶界缺陷态电子密度均较低,其压敏电压VT和非线性系数ɑ最高,漏电流IL最小。

  • 标签: ZnO基压敏电阻 金属氧化物掺杂 缺陷 电子密度 电性能
  • 简介:在未采取预电离措施情况下,研究了纯sf6气体及sf6/h29sf6/c2h6两种混合气体激光介质脉冲放电特性。实验结果表明,无预电离时SF68其混合气体介质可以实现自引发体放电,气体介质体放电维持电压主要由SF,;含量决定,C2H6具有抑制电弧作用,可以有效延长体放电维持时间。分析认为,sf66体高折合场强E/P导致放电通道电流密度受限和高电负度■引起放电通道中负离子分解产生二次电子,是介质实现自引发体放电重要机理。

  • 标签: HF激光 自引发 体放电 电弧放电
  • 简介:AnewlayeredCu-basedoxychalcogenideBa3Fe2O5Cu2S2hasbeensynthesizedanditsmagneticandelectronicpropertieswererevealed.Ba3Fe2O5Cu2S2isbuiltupbyalternativelystacking[Cu2S2]2-layersandironperovskiteoxide[(FeO2)(BaO)(FeO2)]2-layersalongthecaxisthatareseparatedbybariumionswithFe3+fivefoldcoordinatedbyasquare-pyramidalarrangementofoxygen.Fromthebondvalencearguments,weinferredthatinlayeredCuCh-based(Ch=S,Se,Te)compoundsthe+3cationinperovskiteoxidesheetprefersasquarepyramidalsite,whilethelowervalencecationprefersthesquareplanarsites.Thestudiesonsusceptibility,transport,andopticalreflectivityindicatethatBa3Fe2O5Cu2S2isanantiferromagneticsemiconductorwithaNe′eltemperatureof121Kandanopticalbandgapof1.03eV.Themeasurementofheatcapacityfrom10Ktoroomtemperatureshowsnoanomalyat121K.TheDebyetemperatureisdeterminedtobe113K.TheoreticalcalculationsindicatethattheconductionbandminimumispredominantlycontributedbyO2pand3dstatesofFeionsthatantiferromagneticallyarrangedinFeO2layers.TheFe3dstatesarelocatedatlowerenergyandresultinanarrowbandgapincomparisonwiththatoftheisostructuralSr3Sc2O5Cu2S2.

  • 标签: 钙钛矿型氧化物 铁磁半导体 光学带隙 德拜温度 电子性质 阳离子
  • 简介:基于第一性原理,计算了MgSiP2能带结构,结果显示压强减小了能带带隙值,部分电子有效质量随着压强增大而减小。费米能级附近电子态密度计算结果显示:随着压强增大,价带顶电子态密度斜率逐渐减小,而导带底电子态密度斜率逐渐增加。结合半经典玻耳兹曼理论,分别计算了p型和《型MgSiP2电导率与弛豫时间比值、赛贝克系数以及功率因子与弛豫时间比值。结果发现:压强所致部分电子有效质量减小,提高了p型和.型MgSiP2电导率,但在一定程度上降低了MgSiP2赛贝克系数。在压强作用下,相对于n型MgSiP2,,型MgSiP2电导率增加幅度更大,补偿了压强所致乡型MgSiP2赛贝克系数降低,提高了型MgSiP2功率因子,使其大于n型MgSiP2对应值。计算结果表明,通过增大压强可以提高p型MgSiP2热电性能,为实验制备具有良好热电性能MgSiP2提供了指导方案。

  • 标签: MgSiP2 电子结构 热电性能 第一性原理计算
  • 简介:合成了一维绳梯链状双金属化合物[Ni(en)2]3[Fe(CN)6]2·2H2O,并对其变温穆斯堡尔谱进行了研究,结果表明该分子磁体中铁电子态为低自旋Fe3+,而大四极分裂值(QS)表明此化合物[Fe(CN)6]3-单元对称结构发生了形变,低温时出现磁弛豫谱,给出了在该温度点附近出现铁磁耦合相互作用信息。

  • 标签: 穆斯堡尔谱 磁弛豫 形变
  • 简介:Inthisarticle,theSm-dopingsinglecrystalsCa1-xSmxFe2As2(x=00.2)werepreparedbytheCaAsfluxmethod,andfollowedbyarapidquenchingtreatmentafterthehightemperaturegrowth.Thesampleswerecharacterizedbystructural,resistive,andmagneticmeasurements.ThesuccessfulSm-substitutionwasrevealedbythereductionofthelatticeparameterc,duetothesmallerionicradiusofSm3+thanCa2+.SuperconductivitywasobservedinallsampleswithonsetTcvaryingfrom27Kto44KuponSm-doping.ThecoexistenceofacollapsedphasetransitionandthesuperconductingtransitionwasfoundforthelowerSm-dopingsamples.ZeroresistivityandsubstantialsuperconductingvolumefractiononlyhappeninhigherSm-dopingcrystalswiththenominalx>0.10.Thedopingdependencesofthec-axislengthandonsetTcweresummarized.Thehigh-TcobservedinthesequenchedcrystalsmaybeattributedtosimultaneoustuningofelectroncarriersdopingandstraineffectcausedbylatticereductionofSm-substitution.

  • 标签: 掺杂晶体 超导电性 SM 单晶 晶格参数 淬火温度
  • 简介:Theground-stateandthermodynamicpropertiesofquantummixed-spinchainsof1/2-1/2-1-1and3/2-3/2-1-1areinvestigatedbyaquantumMonteCarlosimulationwiththeloop-clusteralgorithm.For1/2-1/2-1-1chain,wefindithastwophasesseparatedbyanenergy-gapvanishingpointintheground-state.For3/2-3/2-1-1chain,thenumericalresultsshowtwoenergy-gapvanishingpointsisolatedbydifferentphasesinitsground-state.Ourcalculationsindicatethatallthesegroundstatephasescanbeunderstoodbymeansofvalence-bond-solidpicture,andthethermodynamicbehavioratfinitetemperaturesiscontinuousasafunctionofparameterα=J2/J1.

  • 标签: 蒙特卡罗模拟 混合自旋链 铁磁性 基态 热力学性质 能隙
  • 简介:Thedipole-length,velocityandaecelerationabsorptionoscillatorstrengthsforthe1s^22p-ls^2nd(3_2=11to20arecalculatedusingtheenergiesandthemulticonfiguratloninteractionwavefunctionsobtainedfromafullcorepluscorrelationmethod.Theagreementbetweenthef-valuescalculatedfromthelength,velocityandaccelerationformulaeisexcellent.Ourresultsagreecloselywiththeexperimentaldataavailableintheliterature.Combiningthesediscreteoscillatorstrengthswiththesingle-channelquantumdefecttheory,thediscreteoscillatorstrengthsforthetransitionsfrom1s^22pstatetohighlyexcitedstates(n_>10)andtheoscillatorstrengthdensitiescorrespondingtothebound-freetransitionsareobtained.

  • 标签: 类锂系统 振荡器 量子缺陷 电离化原子系统 原子物理学