We calculate the magnetic properties of small Fe N clusters( N =2～7,9,13,15) by using a parameterized Hubbard tight binding spd band model Hamiltonian, with the parameters obtained from nonorthogonal Hamiltonian para...We calculate the magnetic properties of small Fe N clusters( N =2～7,9,13,15) by using a parameterized Hubbard tight binding spd band model Hamiltonian, with the parameters obtained from nonorthogonal Hamiltonian parameters. the average magnetic moments, and the spin polarized charge distribution within clusters are in agreement with those obtained by first principle and tight binding calculations. The effect of the nonorthogonal basis is discussed.展开更多
Sm2Fe17-xNbx （x = 0-4） powder was synthesized by HDDR treatment and nitrogenation. The effects of partial Nb substitution for Fe on the structural and magnetic properties of Sm2Fe17-xNbx alloys and their nitlides we...Sm2Fe17-xNbx （x = 0-4） powder was synthesized by HDDR treatment and nitrogenation. The effects of partial Nb substitution for Fe on the structural and magnetic properties of Sm2Fe17-xNbx alloys and their nitlides were investigated. It was seen that Sm2（Fe,Nb）17 phase exists in both annealed and HDDR-treated Sm2Fe17-xNbx alloys. However, its content is decreased with the increase in Nb substitution. In annealed alloys, Sm2（Fe,Nb）17 phase becomes unstable and will dissociate into SmFe2 and Fe-rich phases when x 〉 1.5. With HDDR-treatment, the Nb concentration in recombined Sm2（Fe,Nb）17 phase is decreased, and the content of Fe-rich phases is increased. Sm2Fe17-xNbx powder exhibits dendritic cracks and fine particles with a size of less than 300 nm. In nitrogenated alloys, N atoms mainly enter 2：17-type phase to form Sm2（Fe,Nb）17Ny. Partial Nb atoms in Sm2（Fe,Nb）17Ny phase will be released or excluded by nitrogen atoms. Fe-rich phases increase, and are followed by the amorphous Sm2（Fe,Nb）17Ny phase. Nb substitution for Fe with x = 0.5 and 1.0 in Sm2Fe17-xNbxNy powders increases the coercivity and remanence. But when x is greater than 2.0, Nb substitution will deteriorate the magnetic properties.展开更多
Fe-N thin films were fabricated on both 100Si and NaCl substrates by RF magnetron sputtering under low nitrogen partial pressure. The microstructure and magnetic properties of Fe-N thin films were investigated with th...Fe-N thin films were fabricated on both 100Si and NaCl substrates by RF magnetron sputtering under low nitrogen partial pressure. The microstructure and magnetic properties of Fe-N thin films were investigated with the increase of the substrate temperature （Ts） and the annealing temperature （Ta）. It is more difficult for nitrogen atoms to enter the Fe lattice under higher Ts above 150℃. The phase evolution is visible at higher Ta above 200℃. The phase transformation of α＇＇-Fe16N2 occurred at 400℃. The change of crystal size with Ta was clearly visible from bright and dark field images. The clear high-resolution electron microscope （HREM） images of 110α, 111γ＇, 112α＇＇, and 200α＇＇ phases were observed. The interplanar distances from TEM （transmission electron microscope） and HREM match the calculated values very well. From the results of the vibrating sample magnetometer （VSM）, the good magnetic properties of Fe-N films were obtained at 150℃ of Ts and 200℃ of Ta, respectively.展开更多
Pseudo-potential and plane wave basis-set under the framework of density functional theory have been employed to study the electronic and magnetic properties of Fe16N2, and to have an insight look on the subject of gi...Pseudo-potential and plane wave basis-set under the framework of density functional theory have been employed to study the electronic and magnetic properties of Fe16N2, and to have an insight look on the subject of giant magnetic moments reported in Fe16N2. After geometrical optimization, band structures and densities of states have been evaluated together with the atom resolved band populations and magnetic moments. In this paper, we report a theoretical effort to look into the various aspects of the magnetic properties of Fe16N2, including volume effect and distortion effect.展开更多
The γ＇-Fe4N films on Cu underlayers are deposited on the glass and Si substrates by dc magnetron reactive sputtering. The effects of Cu underlayer on the structure, morphology and magnetic properties of the γ＇-Fe4...The γ＇-Fe4N films on Cu underlayers are deposited on the glass and Si substrates by dc magnetron reactive sputtering. The effects of Cu underlayer on the structure, morphology and magnetic properties of the γ＇-Fe4N films are studied. The single-phase γ＇-Fe4N films with Cu underlayers on the glass substrate are obtained, while the mixture of Fe and γ＇-Fe4N is observed on the Si substrate. In comparison with the films without Cu underlayers, the grains of the films with Cu underlayers exhibit a non-uniform size distribution and give rise to a rougher surface. The magnetic measurements indicate that the γ＇-Fe4N films show a good soft ferromagnetic behavior. The enhanced coercivity in the films with Cu underlayers is observed due to the deterioration of the crystallographic structure as well as the rougher surface.展开更多
文摘We calculate the magnetic properties of small Fe N clusters( N =2～7,9,13,15) by using a parameterized Hubbard tight binding spd band model Hamiltonian, with the parameters obtained from nonorthogonal Hamiltonian parameters. the average magnetic moments, and the spin polarized charge distribution within clusters are in agreement with those obtained by first principle and tight binding calculations. The effect of the nonorthogonal basis is discussed.
基金This work was financially supported by the National Natural Sciences Foundation of China (No. 50271024) and the Natu-ral Science Foundation of Hebei Province, China (No.501013).
文摘Sm2Fe17-xNbx （x = 0-4） powder was synthesized by HDDR treatment and nitrogenation. The effects of partial Nb substitution for Fe on the structural and magnetic properties of Sm2Fe17-xNbx alloys and their nitlides were investigated. It was seen that Sm2（Fe,Nb）17 phase exists in both annealed and HDDR-treated Sm2Fe17-xNbx alloys. However, its content is decreased with the increase in Nb substitution. In annealed alloys, Sm2（Fe,Nb）17 phase becomes unstable and will dissociate into SmFe2 and Fe-rich phases when x 〉 1.5. With HDDR-treatment, the Nb concentration in recombined Sm2（Fe,Nb）17 phase is decreased, and the content of Fe-rich phases is increased. Sm2Fe17-xNbx powder exhibits dendritic cracks and fine particles with a size of less than 300 nm. In nitrogenated alloys, N atoms mainly enter 2：17-type phase to form Sm2（Fe,Nb）17Ny. Partial Nb atoms in Sm2（Fe,Nb）17Ny phase will be released or excluded by nitrogen atoms. Fe-rich phases increase, and are followed by the amorphous Sm2（Fe,Nb）17Ny phase. Nb substitution for Fe with x = 0.5 and 1.0 in Sm2Fe17-xNbxNy powders increases the coercivity and remanence. But when x is greater than 2.0, Nb substitution will deteriorate the magnetic properties.
基金supported by the National Natural Science Foundation of China(No.50674071)Tianjin Natural Science Foundation of China(No.06YFJZJC01300)+1 种基金the Program for New Century Excellent Talents in University(NCET-06-0245)the Platform Project of Tianjin for Innovation in Science and Technology and Environmental Construction(No.06TXTJJC13900).
文摘Fe-N thin films were fabricated on both 100Si and NaCl substrates by RF magnetron sputtering under low nitrogen partial pressure. The microstructure and magnetic properties of Fe-N thin films were investigated with the increase of the substrate temperature （Ts） and the annealing temperature （Ta）. It is more difficult for nitrogen atoms to enter the Fe lattice under higher Ts above 150℃. The phase evolution is visible at higher Ta above 200℃. The phase transformation of α＇＇-Fe16N2 occurred at 400℃. The change of crystal size with Ta was clearly visible from bright and dark field images. The clear high-resolution electron microscope （HREM） images of 110α, 111γ＇, 112α＇＇, and 200α＇＇ phases were observed. The interplanar distances from TEM （transmission electron microscope） and HREM match the calculated values very well. From the results of the vibrating sample magnetometer （VSM）, the good magnetic properties of Fe-N films were obtained at 150℃ of Ts and 200℃ of Ta, respectively.
基金This work was supported by the National Natural Science Foundation of China under Grant Nos.50232030 and 50325209the Funds for Ph.D degree holders to Startup research works.
文摘Pseudo-potential and plane wave basis-set under the framework of density functional theory have been employed to study the electronic and magnetic properties of Fe16N2, and to have an insight look on the subject of giant magnetic moments reported in Fe16N2. After geometrical optimization, band structures and densities of states have been evaluated together with the atom resolved band populations and magnetic moments. In this paper, we report a theoretical effort to look into the various aspects of the magnetic properties of Fe16N2, including volume effect and distortion effect.
基金Supported by the National Natural Science Foundation of China under Grant Nos 61434002,61204097,11274214 and 51301099the National High-Tech Research and Development Program of China under Grant No 2014AA032904+1 种基金the Chang Jiang Scholars and Innovative Team Development Plan by the Ministry of Education under Grant No IRT1156the Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant Nos 20121404130001 and 20121404120003
文摘The γ＇-Fe4N films on Cu underlayers are deposited on the glass and Si substrates by dc magnetron reactive sputtering. The effects of Cu underlayer on the structure, morphology and magnetic properties of the γ＇-Fe4N films are studied. The single-phase γ＇-Fe4N films with Cu underlayers on the glass substrate are obtained, while the mixture of Fe and γ＇-Fe4N is observed on the Si substrate. In comparison with the films without Cu underlayers, the grains of the films with Cu underlayers exhibit a non-uniform size distribution and give rise to a rougher surface. The magnetic measurements indicate that the γ＇-Fe4N films show a good soft ferromagnetic behavior. The enhanced coercivity in the films with Cu underlayers is observed due to the deterioration of the crystallographic structure as well as the rougher surface.
