This present issue is an extension of the work of Y. Xiao-Zhong et al. who investigated the influence of constant external magnetic field on the decoherence of a central electron spin of atom coupled to an anti-ferrom...This present issue is an extension of the work of Y. Xiao-Zhong et al. who investigated the influence of constant external magnetic field on the decoherence of a central electron spin of atom coupled to an anti-ferromagnetic environment. We have shown in this work that the character variability of the field induces oscillations amongst the eigen modes of the environment. This observation is made via the derivation of the transition probability density of state, a manner by which critical parameters (parameters where transition occur) of the system could be obtained as it shows resonance peak. We equally observed that the two different magnons modes resulting from the frequency splitting via the application of the time-varying external B-Field, exhibit each a resonant peak of similar amplitude at different temperature ranges. This additional information shows that the probability for the central spin system to remain in its initially prepared diabatic state is enhanced for some temperature ranges for the corresponding two magnon modes. Hence, these temperature ranges where the probability density is maximum could save as decoherence free environment;an important requirement for the implementation of quantum computation and information processing in solid state circuitry. The theoretical and numerical results presented for the decoherence time and the probability density are that of a decohered central electron spin coupled to an anti-ferromagnetic spin bath. The theory is based on a spin wave approximation and on the density matrix using both transformations of Bloch, Primakov and Bogoliobuv in the adiabatic limit.展开更多
We study the electronic and magnetic properties of an oxygen-deficient perovskite Ca2Mn2O5 based on the first principle calculations. The calculations show that the ground state of Ca2Mn2O5 is a D-type anti-ferromagne...We study the electronic and magnetic properties of an oxygen-deficient perovskite Ca2Mn2O5 based on the first principle calculations. The calculations show that the ground state of Ca2Mn2O5 is a D-type anti-ferromagnetic structure with the anti-ferromagnetic spin coupling along the c-direction. The corresponding electronic structure of the D-type state is investigated, and the results display that Ca2Mn2O5 is an insulator with an indirect energy gap of -2.08eV. By the partiM density-of-state analysis, the valence band maximum is mainly contributed to by the 0-213 orbitMs and the conduction band minimum is contributed to by the 0-213 and Mn-3d orbitals. Due to the Coulomb repulsion interaction between electrons, the density of state of Mn-3d is pulled to -6--4.5eV.展开更多
Two isostructural tetranuclear lanthanide clusters named [Ln_(4)(L)_(4)(CH_(3) O)_(4)]·CH_(3) OH(Ln=Gd(Ⅲ) for 1,Dy(Ⅲ) for 2,H_(2) L=N’-(2-hydroxy-3-methoxybenzylidene)-6-(hydroxymethyl) picolinohydrazide) were...Two isostructural tetranuclear lanthanide clusters named [Ln_(4)(L)_(4)(CH_(3) O)_(4)]·CH_(3) OH(Ln=Gd(Ⅲ) for 1,Dy(Ⅲ) for 2,H_(2) L=N’-(2-hydroxy-3-methoxybenzylidene)-6-(hydroxymethyl) picolinohydrazide) were successfully isolated by using a polydentate Schiff based ligand and Ln(Ⅲ) nitrate salts.The structures of 1 and 2 were characterized by X-ray structural analyses,they are held by four double deprotonated ligands L2-.In them all the lanthanide ions are eight-coordinated and distributed over four vertices of a parallelogram,presenting a Ln4 cluster with a strict [2 × 2] square grid pattern.The details of magnetic analysis show that 1 displays weak anti-ferromagnetic exchange between neighboring Gd(Ⅲ) ions through carboxylate oxygen and methanol oxygen ligand atoms.Furthermore,1 exhibits significant magnetocaloric effect with the maximum entropy change-ΔSm value of 28.5 J/(kg K) for ΔH=7.0 T at 2.0 K.For compound 2,remarkable slow magnetic relaxation behaviors are observed in the presence of zero magnetic field with τ0=1.02 × 10^(-6) s and energy barrier ΔE/kB=43.24 K.展开更多
文摘This present issue is an extension of the work of Y. Xiao-Zhong et al. who investigated the influence of constant external magnetic field on the decoherence of a central electron spin of atom coupled to an anti-ferromagnetic environment. We have shown in this work that the character variability of the field induces oscillations amongst the eigen modes of the environment. This observation is made via the derivation of the transition probability density of state, a manner by which critical parameters (parameters where transition occur) of the system could be obtained as it shows resonance peak. We equally observed that the two different magnons modes resulting from the frequency splitting via the application of the time-varying external B-Field, exhibit each a resonant peak of similar amplitude at different temperature ranges. This additional information shows that the probability for the central spin system to remain in its initially prepared diabatic state is enhanced for some temperature ranges for the corresponding two magnon modes. Hence, these temperature ranges where the probability density is maximum could save as decoherence free environment;an important requirement for the implementation of quantum computation and information processing in solid state circuitry. The theoretical and numerical results presented for the decoherence time and the probability density are that of a decohered central electron spin coupled to an anti-ferromagnetic spin bath. The theory is based on a spin wave approximation and on the density matrix using both transformations of Bloch, Primakov and Bogoliobuv in the adiabatic limit.
基金Supported by the National Basic Research Program of China under Grant No 2014CB931703the National Natural Science Foundation of China under Grant Nos 11404172,51101088,and 51171082the Fundamental Research Funds for the Central Universities
文摘We study the electronic and magnetic properties of an oxygen-deficient perovskite Ca2Mn2O5 based on the first principle calculations. The calculations show that the ground state of Ca2Mn2O5 is a D-type anti-ferromagnetic structure with the anti-ferromagnetic spin coupling along the c-direction. The corresponding electronic structure of the D-type state is investigated, and the results display that Ca2Mn2O5 is an insulator with an indirect energy gap of -2.08eV. By the partiM density-of-state analysis, the valence band maximum is mainly contributed to by the 0-213 orbitMs and the conduction band minimum is contributed to by the 0-213 and Mn-3d orbitals. Due to the Coulomb repulsion interaction between electrons, the density of state of Mn-3d is pulled to -6--4.5eV.
文摘结合对称性破损(BS)方法,采用不同的密度泛函理论(DFT)对反铁磁性μ-1,3-N3-Ni(II)叠氮配合物[LNi2(N3)](Cl O4)2(L=pyrazolate)的磁特性进行了研究.结果显示,杂化密度泛函理论(HDFT)的计算结果与实验数据非常吻合,能够准确描述配合物的磁特性.磁轨道研究结果表明,配合物表现出较大的单占据轨道能量劈裂(0.93-0.99 e V),显示配合物的单占据轨道去简并化程度较大,且配合物中的2个磁通道(叠氮基、配体pyrazolate)中都分别存在有氮原子之间的p轨道重叠,这些都使得体系表现为反铁磁耦合作用.另外,配合物的磁性与叠氮桥和两金属离子间形成的二面角(τ,Ni-N-N-N-Ni)密切相关,τ从-55.38°逐渐变化到-1.5°的过程中,其反铁磁性逐渐增强,交换耦合常数(Jab)的绝对值逐渐增大,并在-11.95°处达到最大值(Jab=-151.02 cm-1).在此过程中,配合物中叠氮桥及其所连接的2个Ni离子与pyrazolate基配体L-中的2个桥原子N(4)、N(5)形成的七元环共平面性不断增强,即共平面性会诱导增强体系的反铁磁相互作用.
基金Project supported by the National Natural Science Foundation of China (21372112,21701039)the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi (201802099)。
文摘Two isostructural tetranuclear lanthanide clusters named [Ln_(4)(L)_(4)(CH_(3) O)_(4)]·CH_(3) OH(Ln=Gd(Ⅲ) for 1,Dy(Ⅲ) for 2,H_(2) L=N’-(2-hydroxy-3-methoxybenzylidene)-6-(hydroxymethyl) picolinohydrazide) were successfully isolated by using a polydentate Schiff based ligand and Ln(Ⅲ) nitrate salts.The structures of 1 and 2 were characterized by X-ray structural analyses,they are held by four double deprotonated ligands L2-.In them all the lanthanide ions are eight-coordinated and distributed over four vertices of a parallelogram,presenting a Ln4 cluster with a strict [2 × 2] square grid pattern.The details of magnetic analysis show that 1 displays weak anti-ferromagnetic exchange between neighboring Gd(Ⅲ) ions through carboxylate oxygen and methanol oxygen ligand atoms.Furthermore,1 exhibits significant magnetocaloric effect with the maximum entropy change-ΔSm value of 28.5 J/(kg K) for ΔH=7.0 T at 2.0 K.For compound 2,remarkable slow magnetic relaxation behaviors are observed in the presence of zero magnetic field with τ0=1.02 × 10^(-6) s and energy barrier ΔE/kB=43.24 K.
