学科分类
/ 25
500 个结果
  • 简介:WehavesynthesizedandinvestigatedphysicalpropertiesoftwonewquaternarycompoundsGd2CoAl4T2(T=Si,Ge)singlecrystals,whichareisostructuraltoTb2NiAl4Ge2andEr2CoAl4Ge2.Themostimportantstructuralfeatureofthesematerialsistheanti-CaF2-typeCoAl4T2slabs.Thesematerialsshowmetallicbehaviorbelow300Kandthereisalong-rangeantiferromagnetic(AFM)transitionappearingat20and27KforGdCoAl4Ge2andGd2CoAl4Si2,respectively.ResistivityandheatcapacitymeasurementsalsoconfirmthesebulkAFMtransitions.Furtheranalysisindicatesthatthislong-rangeantiferromagnetismshouldresultfromthemagneticinteractionbetweenlocalmomentsofGd^3+ions.

  • 标签: magnetic MAT erials RARE earth COMPOUNDS
  • 简介:Inthispaper,weintroducethereducedmatrixinkqrepresentationandprovidethereducedmatrixelementsofaprojectionoperatorPontherationalnoncommutativeorbifoldT2/Z4.wegivetheclosedformfortheprojectorbyJacobiellipticalfunctions.Sinceprojectorscorrespondtosolitonsolutionsofthefieldtheoryonthenoncommutativeorbifold,wethuspresentacorrespondingsolitonsolution.

  • 标签: 投影算子 非交换 JACOBI椭圆函数 理性 矩阵元素 封闭形式
  • 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——的物理量.一辆“东风牌”汽车对地面的压强是1.8×10^4Pa它所表示的物理含义是——.

  • 标签: 压强 物理量 东风牌
  • 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: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
  • 简介:目的:探索1T-MoS2(多结构的二硫化钼)的除汞机制。方法:1.采用密度泛函理论(DFT)分析Hg~0在1T-MoS_2单层上的吸附机理。2.考察1T-MoS_2的不同吸附位置。3.对不同的吸附构型,研究电子吸附前后的变化,从而进一步了解吸附过程。结论:1.化学吸附是Hg原子与1T-MoS_2单层吸附的主导因素。同时,在所有可能的吸附位置中,T_(Mo)(在钼原子上方)的位置是最强烈的吸附构型。2.汞(Hg)原子在1T-MoS_2单层上的吸附受邻近的硫(S)和钼(Mo)原子的影响。3.吸附的汞(Hg)原子在1T-MoS_2的Tmo位置上会被氧化,其吸附能为-1.091eV。4.从局部态密度(PDOS)分析来看,Hg原子和1T-MoS_2表面之间的相互作用是由汞(Hg)原子的d轨道与硫(S)原子的s轨道及钼(Mo)原子的p轨道和d轨道重叠所致。

  • 标签: 单层1T-MoS2 汞捕捉 吸附机制 密度泛函理论(DFT)