Taking α-Fe and Nd_2Fe_(14)B grains as example, the grain size dependence of the exchange-coupling interaction and effective anisotropy and also their variations depending on the ratio of magnetically soft and hard g...Taking α-Fe and Nd_2Fe_(14)B grains as example, the grain size dependence of the exchange-coupling interaction and effective anisotropy and also their variations depending on the ratio of magnetically soft and hard grain sizes, D_s∶D_h, were investigated. When grain size D>L_(ex), the grain’s anisotropy is the statistic value of the coupled and uncoupled part. The anisotropy constant of uncoupled part is the common value K_1 and that of coupled part varies with the distance to the grain surface. The effective anisotropy constant between magnetically soft and hard grains, K_(eff), can be expressed as the sum of the products of volume fractions for soft and hard grains, respectively, and the corresponding mean anisotropy constants. The calculation results indicate that the exchange-coupling interaction is enhanced with the reduction of grain size, and the effective anisotropy decreases with reducing grain size and increasing ratio of D_s∶D_h. In order to get high effective anisotropy constant, K_(eff), in composite magnetically soft-hard grains, the hard grain size should be larger than 30 nm and the soft grain size should be about 10 nm.展开更多
As pointed out in the paper preceding this one, in the case of functionals whose independent variable must obey conditions of integral normalization, conventional functional differentiation, defined in terms of an arb...As pointed out in the paper preceding this one, in the case of functionals whose independent variable must obey conditions of integral normalization, conventional functional differentiation, defined in terms of an arbitrary test function, is generally inapplicable and functional derivatives with respect to the density must be evaluated through the alternative and widely used limiting procedure based on the Dirac delta function. This leads to the determination of the rate of change of the dependent variable with respect to its independent variable at each isolated pair, , that may not be part of a functional (a set of ordered pairs). This extends the concept of functional derivative to expectation values of operators with respect to wave functions leading to a density even if the wave functions (and expectation values) do not form functionals. This new formulation of functional differentiation forms the basis for the study of the mathematical integrity of a number of concepts in density functional theory (DFT) such as the existence of a universal functional of the density, of orbital-free density functional theory, the derivative discontinuity of the exchange and correlation functional and the extension of DFT to open systems characterized by densities with fractional normalization. It is shown that no universal functional exists but, rather, a universal process based only on the density and independent of the possible existence of a potential, leads to unique functionals of the density determined through the minimization procedure of the constrained search. The mathematical integrity of two methodologies proposed for the treatment of the Coulomb interaction, the self-interaction free method and the optimized effective potential method is examined and the methodologies are compared in terms of numerical calculations. As emerges from this analysis, the optimized effective potential method is found to be numerically approximate but formally invalid, contrary to the rigorously exact results of the self-interaction-free method.展开更多
Taking Nd2Fe14B/α-Fe as example, the exchange-coupling interactions between magnetically soft and hard grains in nanocomposite permanent materials and their effects on the effective anisotropy of materials were inves...Taking Nd2Fe14B/α-Fe as example, the exchange-coupling interactions between magnetically soft and hard grains in nanocomposite permanent materials and their effects on the effective anisotropy of materials were investigated. The calculation results expressed that the exchange-coupling interactions are enhanced with the reduction of grain size, and the effective anisotropy of materials decreases with the reduction of gram size and the increase of magnetically soft phase component. The remanence and the effective anisotropy of materials possess the opposite variation trend with the change of grain size and phase ratio. The mean grain size should be in the range of 10-15 nm and the ratio of soft phase should be less than 50% for getting the magnet with high energy product.展开更多
The resistivity of Hg<sub>0.89</sub>Mn<sub>0.11</sub>Te has been measured by the superconducting quantum interference device magnetometer in the temperature range from 5 to 200 K under the appl...The resistivity of Hg<sub>0.89</sub>Mn<sub>0.11</sub>Te has been measured by the superconducting quantum interference device magnetometer in the temperature range from 5 to 200 K under the applied magnetic field of 1, 2, 4 and 6.5 Tesla, respectively, compared with that of no-magnetic field. The results show that the resistivity increases with increase applied magnetic field at higher temperature from 80 to 200 K, but decreases at lower temperature from 5 to 25 K. There exists a transitive range from 25 to 80 K, where the variation of the resistivity shows different tendencies depending on the strength of magnetic field. Maximum difference of resistivity under 6.5 Tesla from that without magnetic field in the temperature range from 30 to 200 K is only about 5 Ω·cm, but it increases up to 3 orders of magnitude at 5 K. The analysis shows that the variation of resistivity of Hg<sub>0.89</sub>Mn<sub>0.11</sub>Te under the magnetic field is the algebraic sum of the transverse direction magnetoresistance effect and the sp-d exchange interaction effect. TDRME plays major role in the high temperature range. However, with the decrease of temperature, the effect of sp-d EI on the resistivity gradually exceeds that of the transverse direction magnetoresistance effect through the transitive range, and becomes the dominant effect in the temperature range from 5 to 25 K, which leads to the dramatic decrease of resistivity.展开更多
Taking nanocrystalline Nd_2Fe_(14)B as a typical sample, based on Herzer′s random anisotropy theory and the cubic grain model, the partial exchange-coupling interaction model was established and the dependence of eff...Taking nanocrystalline Nd_2Fe_(14)B as a typical sample, based on Herzer′s random anisotropy theory and the cubic grain model, the partial exchange-coupling interaction model was established and the dependence of effective anisotropy constant K_(eff) on grain size was investigated. Calculation results reveal that the exchange-coupling interaction enhances and the effective anisotropy of material K_(eff) decreases with the reduction of grain size. The variation of K_(eff) is basically the same as that of coercivity. The decrease of effective anisotropy is the main reason of the reduction of coercivity for nanocrystalline Nd_2Fe_(14)B permanent magnetic material.展开更多
This paper describes an n-i-p-i-n model heterostructure with a manganese （Mn）-doped p-type base region to check the stability of a positively charged manganese A＋Mn centre with two holes weakly bound by a negativel...This paper describes an n-i-p-i-n model heterostructure with a manganese （Mn）-doped p-type base region to check the stability of a positively charged manganese A＋Mn centre with two holes weakly bound by a negatively charged 3dS（Mn） core of a local spin S = 5/2 in the framework of the effective mass approximation near the F critical point （k -0）. By including the carrier screening effect, the ground state energy and the binding energy of the second hole in the positively charged centre A＋Mn are calculated within a hole concentration range from 1 ×10^16 cm-3 to 1 × 10^17 cm^-3, which is achievable by biasing the structure under photo-excitation. For comparison, the ground-state energy of a single hole in the neutral AMn centre is calculated in the same concentration range. It turns out that the binding energy of the second hole in the A＋Mn centre varies from 9.27 meV to 4.57 meV. We propose that the presence of the A＋Mn centre can be examined by measuring the photoluminescence from recombination of electrons in the conduction band with the bound holes in the A＋Mn centre since a high frequency dielectric constant of ε∞ = 10.66 can be safely adopted in this case. The novel feature of the ability to tune the impurity level of the A＋Mn centre makes it attractive for optically and electrically manipulating local magnetic spins in semiconductors.展开更多
文摘Taking α-Fe and Nd_2Fe_(14)B grains as example, the grain size dependence of the exchange-coupling interaction and effective anisotropy and also their variations depending on the ratio of magnetically soft and hard grain sizes, D_s∶D_h, were investigated. When grain size D>L_(ex), the grain’s anisotropy is the statistic value of the coupled and uncoupled part. The anisotropy constant of uncoupled part is the common value K_1 and that of coupled part varies with the distance to the grain surface. The effective anisotropy constant between magnetically soft and hard grains, K_(eff), can be expressed as the sum of the products of volume fractions for soft and hard grains, respectively, and the corresponding mean anisotropy constants. The calculation results indicate that the exchange-coupling interaction is enhanced with the reduction of grain size, and the effective anisotropy decreases with reducing grain size and increasing ratio of D_s∶D_h. In order to get high effective anisotropy constant, K_(eff), in composite magnetically soft-hard grains, the hard grain size should be larger than 30 nm and the soft grain size should be about 10 nm.
文摘As pointed out in the paper preceding this one, in the case of functionals whose independent variable must obey conditions of integral normalization, conventional functional differentiation, defined in terms of an arbitrary test function, is generally inapplicable and functional derivatives with respect to the density must be evaluated through the alternative and widely used limiting procedure based on the Dirac delta function. This leads to the determination of the rate of change of the dependent variable with respect to its independent variable at each isolated pair, , that may not be part of a functional (a set of ordered pairs). This extends the concept of functional derivative to expectation values of operators with respect to wave functions leading to a density even if the wave functions (and expectation values) do not form functionals. This new formulation of functional differentiation forms the basis for the study of the mathematical integrity of a number of concepts in density functional theory (DFT) such as the existence of a universal functional of the density, of orbital-free density functional theory, the derivative discontinuity of the exchange and correlation functional and the extension of DFT to open systems characterized by densities with fractional normalization. It is shown that no universal functional exists but, rather, a universal process based only on the density and independent of the possible existence of a potential, leads to unique functionals of the density determined through the minimization procedure of the constrained search. The mathematical integrity of two methodologies proposed for the treatment of the Coulomb interaction, the self-interaction free method and the optimized effective potential method is examined and the methodologies are compared in terms of numerical calculations. As emerges from this analysis, the optimized effective potential method is found to be numerically approximate but formally invalid, contrary to the rigorously exact results of the self-interaction-free method.
基金This work was supported by the National Natural Science Foundation of China (Grant No. 59971026)the Science Foundation of Shandong Province (Grant No. Y2000F10).
文摘Taking Nd2Fe14B/α-Fe as example, the exchange-coupling interactions between magnetically soft and hard grains in nanocomposite permanent materials and their effects on the effective anisotropy of materials were investigated. The calculation results expressed that the exchange-coupling interactions are enhanced with the reduction of grain size, and the effective anisotropy of materials decreases with the reduction of gram size and the increase of magnetically soft phase component. The remanence and the effective anisotropy of materials possess the opposite variation trend with the change of grain size and phase ratio. The mean grain size should be in the range of 10-15 nm and the ratio of soft phase should be less than 50% for getting the magnet with high energy product.
基金Supported by the National Natural Science Foundation of China(No.50336040)
文摘The resistivity of Hg<sub>0.89</sub>Mn<sub>0.11</sub>Te has been measured by the superconducting quantum interference device magnetometer in the temperature range from 5 to 200 K under the applied magnetic field of 1, 2, 4 and 6.5 Tesla, respectively, compared with that of no-magnetic field. The results show that the resistivity increases with increase applied magnetic field at higher temperature from 80 to 200 K, but decreases at lower temperature from 5 to 25 K. There exists a transitive range from 25 to 80 K, where the variation of the resistivity shows different tendencies depending on the strength of magnetic field. Maximum difference of resistivity under 6.5 Tesla from that without magnetic field in the temperature range from 30 to 200 K is only about 5 Ω·cm, but it increases up to 3 orders of magnitude at 5 K. The analysis shows that the variation of resistivity of Hg<sub>0.89</sub>Mn<sub>0.11</sub>Te under the magnetic field is the algebraic sum of the transverse direction magnetoresistance effect and the sp-d exchange interaction effect. TDRME plays major role in the high temperature range. However, with the decrease of temperature, the effect of sp-d EI on the resistivity gradually exceeds that of the transverse direction magnetoresistance effect through the transitive range, and becomes the dominant effect in the temperature range from 5 to 25 K, which leads to the dramatic decrease of resistivity.
基金Project supported by National‘863’Project (2002AA324050 2002AA302602) and Natural Science Foundation of China(50371046) and Doctoral Foundation of China (20040422014)
文摘Taking nanocrystalline Nd_2Fe_(14)B as a typical sample, based on Herzer′s random anisotropy theory and the cubic grain model, the partial exchange-coupling interaction model was established and the dependence of effective anisotropy constant K_(eff) on grain size was investigated. Calculation results reveal that the exchange-coupling interaction enhances and the effective anisotropy of material K_(eff) decreases with the reduction of grain size. The variation of K_(eff) is basically the same as that of coercivity. The decrease of effective anisotropy is the main reason of the reduction of coercivity for nanocrystalline Nd_2Fe_(14)B permanent magnetic material.
基金supported by the National Basic Research Program of China (Grant Nos. 2007CB924904 and 2011CB932901)
文摘This paper describes an n-i-p-i-n model heterostructure with a manganese （Mn）-doped p-type base region to check the stability of a positively charged manganese A＋Mn centre with two holes weakly bound by a negatively charged 3dS（Mn） core of a local spin S = 5/2 in the framework of the effective mass approximation near the F critical point （k -0）. By including the carrier screening effect, the ground state energy and the binding energy of the second hole in the positively charged centre A＋Mn are calculated within a hole concentration range from 1 ×10^16 cm-3 to 1 × 10^17 cm^-3, which is achievable by biasing the structure under photo-excitation. For comparison, the ground-state energy of a single hole in the neutral AMn centre is calculated in the same concentration range. It turns out that the binding energy of the second hole in the A＋Mn centre varies from 9.27 meV to 4.57 meV. We propose that the presence of the A＋Mn centre can be examined by measuring the photoluminescence from recombination of electrons in the conduction band with the bound holes in the A＋Mn centre since a high frequency dielectric constant of ε∞ = 10.66 can be safely adopted in this case. The novel feature of the ability to tune the impurity level of the A＋Mn centre makes it attractive for optically and electrically manipulating local magnetic spins in semiconductors.
