The structural,electronic and optical properties of KNbO 3 （KN）,NaNbO3（NN）and K05 Na0.5NbO3（KNN） in paraelectric cubic phase were calculated employing the plane-wave pseudopotential method based on density funct...The structural,electronic and optical properties of KNbO 3 （KN）,NaNbO3（NN）and K05 Na0.5NbO3（KNN） in paraelectric cubic phase were calculated employing the plane-wave pseudopotential method based on density functional theory （DFT）.The calculated electronic structures of the three crystals show similar features in the valence bands and the lower conduction bands.However,the structures in higher conduction bands differ markedly due to the effect of Na and K atoms.The calculated optical properties reveal that the features of optical spectrum at low energy are dominated by the transitions from O2p valence bands to Nb 4d conduction bands and those at high energy are related to the transitions to K 4s4p and/or Na 3s3p states.Moreover,the optical constants of KNN are approximately the average of KN and NN at high energy.Therefore,the optical properties of KNN in high energy region can probably be altered by changing the ratio of Na/K.展开更多
Pure Ko.sNao sNbO3(KNN)and KNN doped with Lit(6%mole),Lat(1.66%,5%,6%mole),and Ti+t(10%mole)were prepared by mixture of oxides using high-energy milling and conventional solid-state reaction.The effects of the dopant ...Pure Ko.sNao sNbO3(KNN)and KNN doped with Lit(6%mole),Lat(1.66%,5%,6%mole),and Ti+t(10%mole)were prepared by mixture of oxides using high-energy milling and conventional solid-state reaction.The effects of the dopant on the physical properties of pure KNN have been evaluated based on the structural,ferroelectric,pyroelectric,and dielectric measurements.The XRD measurements show that KNN pure sample contains a mixture of monoclinic and orthorhombic crystalline phases,with a slightly higher concentration of monoclinic phase.In contrast,all doped samples show a higher concentration of the orthorhombic phase,as well as the presence of a secondary phase(K6Nb10.8O3o),also detected by Raman measurements.The samples with a higher concentration of this secondary phase,also present greater dielectric losses and lower values of remnant polarization.The dielectric measurements allowed us to detect temperatures of structural transitions(orthorhombic-tetragonal,O-T)previous to the ferroelectric paraelectric transition(tetragonal-cubic,T-C),and also in this set of samples,a direct correlation was found between the values of remnant polarization and the corresponding pyroelectric signal response.展开更多
通过流延成型技术,以片状K0.5Na0.5NbO3(简称为KNN)粉体为模板,结合掺杂改性后的基料粉体(K0.45Na0.55)0.98Li0.02(Nb0.77Ta0.18Sb0.05)O3-0.005Ba ZrO3(简称为KNNLST-BZ)流延制备出KNN基无铅压电陶瓷,研究了不同的工艺参数(烧结温度、...通过流延成型技术,以片状K0.5Na0.5NbO3(简称为KNN)粉体为模板,结合掺杂改性后的基料粉体(K0.45Na0.55)0.98Li0.02(Nb0.77Ta0.18Sb0.05)O3-0.005Ba ZrO3(简称为KNNLST-BZ)流延制备出KNN基无铅压电陶瓷,研究了不同的工艺参数(烧结温度、烧结次数)对于KNNLST-BZ织构化陶瓷的电学性能、显微结构的影响。结果表明:模板含量为20wt%的KNNLST-BZ织构化陶瓷在1145℃下保温2 h呈现出优异的性能:压电常数d33=204 p C/N,横向机电耦合系数k31=23%,剩余极化强度Pr=26μC/cm2,矫顽场Ec=1.2 k V/mm。同时该织构化陶瓷在1145℃下烧结2次能得到更优的电学性能:d33=248 p C/N,k31=32.54%,Pr=38μC/cm2,Ec=1.2 k V/mm,介电损耗tanδ=6.38%,机械品质因数Qm=16.76,介电常数εT33/ε0=913.7,横向伸缩振动频率常数N1=2244。展开更多
基金Supported by the National Natural Science Foundation of China (Nos. 50862005,51062005,91022034 and 91022027)the Jiangxi Natural Science Foundation and Cooperative Project (Nos. 2008GZC000,2009JX02060,2010GQW0038 and [2008]212)+1 种基金Foundation of Jiangxi Educational Committee (GJJ11204)the Jiangxi Colleges and Universities "Advanced Ceramics" scientific and technological innovation team
文摘The structural,electronic and optical properties of KNbO 3 （KN）,NaNbO3（NN）and K05 Na0.5NbO3（KNN） in paraelectric cubic phase were calculated employing the plane-wave pseudopotential method based on density functional theory （DFT）.The calculated electronic structures of the three crystals show similar features in the valence bands and the lower conduction bands.However,the structures in higher conduction bands differ markedly due to the effect of Na and K atoms.The calculated optical properties reveal that the features of optical spectrum at low energy are dominated by the transitions from O2p valence bands to Nb 4d conduction bands and those at high energy are related to the transitions to K 4s4p and/or Na 3s3p states.Moreover,the optical constants of KNN are approximately the average of KN and NN at high energy.Therefore,the optical properties of KNN in high energy region can probably be altered by changing the ratio of Na/K.
基金The authors express their thanks to CONACYT for funding this research through projects CB-240460 and LN-295261,and to LIDTRA for the facilities in the use of experimental infrastructure.
文摘Pure Ko.sNao sNbO3(KNN)and KNN doped with Lit(6%mole),Lat(1.66%,5%,6%mole),and Ti+t(10%mole)were prepared by mixture of oxides using high-energy milling and conventional solid-state reaction.The effects of the dopant on the physical properties of pure KNN have been evaluated based on the structural,ferroelectric,pyroelectric,and dielectric measurements.The XRD measurements show that KNN pure sample contains a mixture of monoclinic and orthorhombic crystalline phases,with a slightly higher concentration of monoclinic phase.In contrast,all doped samples show a higher concentration of the orthorhombic phase,as well as the presence of a secondary phase(K6Nb10.8O3o),also detected by Raman measurements.The samples with a higher concentration of this secondary phase,also present greater dielectric losses and lower values of remnant polarization.The dielectric measurements allowed us to detect temperatures of structural transitions(orthorhombic-tetragonal,O-T)previous to the ferroelectric paraelectric transition(tetragonal-cubic,T-C),and also in this set of samples,a direct correlation was found between the values of remnant polarization and the corresponding pyroelectric signal response.
文摘通过流延成型技术,以片状K0.5Na0.5NbO3(简称为KNN)粉体为模板,结合掺杂改性后的基料粉体(K0.45Na0.55)0.98Li0.02(Nb0.77Ta0.18Sb0.05)O3-0.005Ba ZrO3(简称为KNNLST-BZ)流延制备出KNN基无铅压电陶瓷,研究了不同的工艺参数(烧结温度、烧结次数)对于KNNLST-BZ织构化陶瓷的电学性能、显微结构的影响。结果表明:模板含量为20wt%的KNNLST-BZ织构化陶瓷在1145℃下保温2 h呈现出优异的性能:压电常数d33=204 p C/N,横向机电耦合系数k31=23%,剩余极化强度Pr=26μC/cm2,矫顽场Ec=1.2 k V/mm。同时该织构化陶瓷在1145℃下烧结2次能得到更优的电学性能:d33=248 p C/N,k31=32.54%,Pr=38μC/cm2,Ec=1.2 k V/mm,介电损耗tanδ=6.38%,机械品质因数Qm=16.76,介电常数εT33/ε0=913.7,横向伸缩振动频率常数N1=2244。
