为了降低Ca Ti O3-（La,Nd）Al O3（简称CT-LNA）陶瓷的烧结温度和提高其介电性能,研究纳米Al2O3对Ca Ti O3-（La,Nd）Al O3陶瓷的烧结温度和介电性能的影响。固相法制备粉料,采用XRD和SEM分析其晶相和显微结构,用网络分析测试样品的介...为了降低Ca Ti O3-（La,Nd）Al O3（简称CT-LNA）陶瓷的烧结温度和提高其介电性能,研究纳米Al2O3对Ca Ti O3-（La,Nd）Al O3陶瓷的烧结温度和介电性能的影响。固相法制备粉料,采用XRD和SEM分析其晶相和显微结构,用网络分析测试样品的介电参数,结果表明,纳米Al2O3可促进陶瓷烧结,在1320~1400℃范围内可烧结成瓷,并具有较好的微波介电性能。当纳米Al2O3含量为50 wt%时,陶瓷在1340℃烧结可获得优良的微波介电性能：介电常数为42.6,Q×f值高达34,000GHz,频率温度系数为＋4.8 ppm/℃。展开更多
With the help of the first-prlnciples full potential linearized augmented plane wave method, absorption coefficients, reflect/vity, dielectric behavior and electronic properties, including electronic energy bands, den...With the help of the first-prlnciples full potential linearized augmented plane wave method, absorption coefficients, reflect/vity, dielectric behavior and electronic properties, including electronic energy bands, density of states and charge density distributions, are studied for the tetragonal and cubic CaTiO3. By considering the thermal expansion effects, an approximate method is proposed for the study of the stability of ground state and a tendency of phase transition, based on the minimum free energy principle. Subsequently, numerical calculations are carried out by using the first-principles perturbation method. We demonstrate that the high-temperature phase is cubic. It is shown that optical spectra in tetragonal phase exhibit single-peak feature and differ from multi-peak character in cubic. We find that strong orbital hybridization results in the co-valent bonds between Ti 3d and O 2p electrons and forms two-type dipoles （Ti-Ol and Ti-02） in tetragonal, while the Ti-O dipoles are identical in cubic. It is argued that crystal structure determines the dipole distributions and leads to some electron states among which the dipole-dipole transit/on forbidden is a key, causing such anomalous optical phenomena with the insulator characteristics. The predicted charge density distribution and the tendency of phase transition from tetragonal to cubic are in good agreement with experimental observations.展开更多
According to time-dependent density functional theory(TDDFT),we study the interactions between ultra-fast laser pulses and two kinds of calcium titanate quantum dots(PCTO-QDs and MCTO-QDs).Under the action of localize...According to time-dependent density functional theory(TDDFT),we study the interactions between ultra-fast laser pulses and two kinds of calcium titanate quantum dots(PCTO-QDs and MCTO-QDs).Under the action of localized field effect,ultrafast laser can induce quantum dots to make the transition from insulator to metal.The PCTO-QDs are ultimately metallic,while the MCTO-QDs are still insulator after experiencing metal state.This is bacause the stability of the unsaturated atoms in the outermost layer of PCTO-QDs is weak and the geometric configuration of MCTO-QDs as a potential well will also reduce the damage of laser.Moreover,laser waveforms approaching to the intrinsic frequency of quantum dots tend to cause the highest electron levels to cross the Fermi surface.In this paper,it is reported that the insulating quantum dots can be transformed into metal by adjusting the intensity and frequency of laser.The importance of local morphology is emphasized by comparing two kinds of CTO-QDs.More importantly,it is an important step to identify the potential properties of perovskite materials.展开更多
In this paper, a detailed study was carried out on the PTFE reinforced with TiO2 and CaTiO3. The filler content of ceramic powder was a fixed value of 61 wt% and the content of CaTiO3 in PTFE matrix varied from 0 wt% ...In this paper, a detailed study was carried out on the PTFE reinforced with TiO2 and CaTiO3. The filler content of ceramic powder was a fixed value of 61 wt% and the content of CaTiO3 in PTFE matrix varied from 0 wt% to 16 wt% with a step size of 4 wt%. The effects of CaTiO3 loading on the density, moisture absorption, thermal expansion, microstructure and microwave dielectric properties were investigated. As CaTiO3 loading content increased from 0 wt% to 16 wt%, the thermal expansion initially displayed a sharp increase, and showed a slight enhancement when the content of CaTiO3 exceeded 12 wt%. The density experienced a continuous decrease with the addition of CaTiO3. The moisture absorption displayed a steady increase with the increasing CaTiO3 loading amount. The changing of dielectric constant (εr) and loss tangent (tanδ) were similar to that of the moisture absorption in a manner. Good dielectric properties with values of εr = 11.60, tanδ = 0.002 were obtained in the PTFE matrix with 16 wt% CaTiO3 and 45 wt% TiO2.展开更多
We prepared (1-x)CaTiO3-xLaAlO3 (0 ≤x≤ 1) microwave dielectric ceramics using a conventional two-step solid-state reaction method,and investigated microwave dielectric properties of the ceramics in terms of A/B-site...We prepared (1-x)CaTiO3-xLaAlO3 (0 ≤x≤ 1) microwave dielectric ceramics using a conventional two-step solid-state reaction method,and investigated microwave dielectric properties of the ceramics in terms of A/B-site ionic-parameters.Ionic-parameters such as ionic polarizability,A-site bond valence,and ionic rattling were linked to the microwave dielectric properties.As the LaAlO3 content x in the (1-x)CaTiO3-xLaAlO3 ceramics increased from 0.3 to 0.7,the dielectric constant gradually decreased,which was attributed to the decrease of polarizability deviation and suppression of the cation rattling.The temperature coefficient of the resonant frequency decreased as the content of LaAlO3 increased because of the increase of A-site cation bond valence.The quality factor value (Q × f) increased as LaAlO3 content increased because of the enhancement of the order degree of B-site cation.A significant deterioration of the temperature coefficient of the resonant frequency and Q ×fvalue was observed at the composition x =0.5.These decreases were attributed to a phase transition from orthorhombic crystal (for x ≤ 0.5) to rhombohedral crystal (for x ＞ 0.5).展开更多
文摘为了降低Ca Ti O3-（La,Nd）Al O3（简称CT-LNA）陶瓷的烧结温度和提高其介电性能,研究纳米Al2O3对Ca Ti O3-（La,Nd）Al O3陶瓷的烧结温度和介电性能的影响。固相法制备粉料,采用XRD和SEM分析其晶相和显微结构,用网络分析测试样品的介电参数,结果表明,纳米Al2O3可促进陶瓷烧结,在1320~1400℃范围内可烧结成瓷,并具有较好的微波介电性能。当纳米Al2O3含量为50 wt%时,陶瓷在1340℃烧结可获得优良的微波介电性能：介电常数为42.6,Q×f值高达34,000GHz,频率温度系数为＋4.8 ppm/℃。
基金The project supported by the Natural Science Foundation of Hubei Province under Grant No. 2003ABA004
文摘With the help of the first-prlnciples full potential linearized augmented plane wave method, absorption coefficients, reflect/vity, dielectric behavior and electronic properties, including electronic energy bands, density of states and charge density distributions, are studied for the tetragonal and cubic CaTiO3. By considering the thermal expansion effects, an approximate method is proposed for the study of the stability of ground state and a tendency of phase transition, based on the minimum free energy principle. Subsequently, numerical calculations are carried out by using the first-principles perturbation method. We demonstrate that the high-temperature phase is cubic. It is shown that optical spectra in tetragonal phase exhibit single-peak feature and differ from multi-peak character in cubic. We find that strong orbital hybridization results in the co-valent bonds between Ti 3d and O 2p electrons and forms two-type dipoles （Ti-Ol and Ti-02） in tetragonal, while the Ti-O dipoles are identical in cubic. It is argued that crystal structure determines the dipole distributions and leads to some electron states among which the dipole-dipole transit/on forbidden is a key, causing such anomalous optical phenomena with the insulator characteristics. The predicted charge density distribution and the tendency of phase transition from tetragonal to cubic are in good agreement with experimental observations.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFA0303600)the National Natural Science Foundation of China(Grant Nos.11974253 and 11774248).
文摘According to time-dependent density functional theory(TDDFT),we study the interactions between ultra-fast laser pulses and two kinds of calcium titanate quantum dots(PCTO-QDs and MCTO-QDs).Under the action of localized field effect,ultrafast laser can induce quantum dots to make the transition from insulator to metal.The PCTO-QDs are ultimately metallic,while the MCTO-QDs are still insulator after experiencing metal state.This is bacause the stability of the unsaturated atoms in the outermost layer of PCTO-QDs is weak and the geometric configuration of MCTO-QDs as a potential well will also reduce the damage of laser.Moreover,laser waveforms approaching to the intrinsic frequency of quantum dots tend to cause the highest electron levels to cross the Fermi surface.In this paper,it is reported that the insulating quantum dots can be transformed into metal by adjusting the intensity and frequency of laser.The importance of local morphology is emphasized by comparing two kinds of CTO-QDs.More importantly,it is an important step to identify the potential properties of perovskite materials.
文摘In this paper, a detailed study was carried out on the PTFE reinforced with TiO2 and CaTiO3. The filler content of ceramic powder was a fixed value of 61 wt% and the content of CaTiO3 in PTFE matrix varied from 0 wt% to 16 wt% with a step size of 4 wt%. The effects of CaTiO3 loading on the density, moisture absorption, thermal expansion, microstructure and microwave dielectric properties were investigated. As CaTiO3 loading content increased from 0 wt% to 16 wt%, the thermal expansion initially displayed a sharp increase, and showed a slight enhancement when the content of CaTiO3 exceeded 12 wt%. The density experienced a continuous decrease with the addition of CaTiO3. The moisture absorption displayed a steady increase with the increasing CaTiO3 loading amount. The changing of dielectric constant (εr) and loss tangent (tanδ) were similar to that of the moisture absorption in a manner. Good dielectric properties with values of εr = 11.60, tanδ = 0.002 were obtained in the PTFE matrix with 16 wt% CaTiO3 and 45 wt% TiO2.
文摘We prepared (1-x)CaTiO3-xLaAlO3 (0 ≤x≤ 1) microwave dielectric ceramics using a conventional two-step solid-state reaction method,and investigated microwave dielectric properties of the ceramics in terms of A/B-site ionic-parameters.Ionic-parameters such as ionic polarizability,A-site bond valence,and ionic rattling were linked to the microwave dielectric properties.As the LaAlO3 content x in the (1-x)CaTiO3-xLaAlO3 ceramics increased from 0.3 to 0.7,the dielectric constant gradually decreased,which was attributed to the decrease of polarizability deviation and suppression of the cation rattling.The temperature coefficient of the resonant frequency decreased as the content of LaAlO3 increased because of the increase of A-site cation bond valence.The quality factor value (Q × f) increased as LaAlO3 content increased because of the enhancement of the order degree of B-site cation.A significant deterioration of the temperature coefficient of the resonant frequency and Q ×fvalue was observed at the composition x =0.5.These decreases were attributed to a phase transition from orthorhombic crystal (for x ≤ 0.5) to rhombohedral crystal (for x ＞ 0.5).
