简介:WehavestudiedtheangularmagnetoresistanceofironpnictidesBaFe2-xNixAs2,whichshowsclear180degreeperiodicityasfittedbyacosinefunction.Inthex=0.065sample,thephaseofthetwo-foldsymmetrychanges90degreesabovethetetragonal-to-orthorhombicstructuraltransitiontemperatureTs.Sincethephaseatlowtemperatureisassociatedwiththerotationoforthorhombicdomainsbymagneticfield,weshowthatevenvacuumgreasecanpushthepresenceoforthorhombicdomainsattemperaturesmuchhigherthanTs.Ourresultssuggestthatresidualstressmayhavesignificanteffectsinstudyingthenematicordersanditsfluctuationsinironpnictides.
简介:使用CASSCF/MRCI方法计算了CS+的势能曲线,为了获得更准确的势能曲线,必须对c和s原子采用大基组aug-cc—pCV5Z。测得CS+的振动能级和光谱参数,并与现有的实验值进行比较。这些结果充分支持以前观测的振动能级的结论。