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Growth and physical characterization of high resistivityFe:β-Ga2O3 crystals 被引量:4
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作者 Hao Zhang Hui-Li Tang +4 位作者 Nuo-Tian He Zhi-Chao Zhu Jia-Wen Chen Bo Liu Jun Xu 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第8期424-427,共4页
High quality 0.02 mol%,0.05 mol%,and 0.08 mol%Fe:β-Ga2O3 single crystals were grown by the floating zone method.The crystal structure,optical,electrical,and thermal properties were measured and discussed.Fe:β-Ga2O3 ... High quality 0.02 mol%,0.05 mol%,and 0.08 mol%Fe:β-Ga2O3 single crystals were grown by the floating zone method.The crystal structure,optical,electrical,and thermal properties were measured and discussed.Fe:β-Ga2O3 single crystals showed transmittance of higher than 80%in the near infrared region.With the increase of the Fe doping concentration,the optical bandgaps reduced and room temperature resistivity increased.The resistivity of 0.08 mol%Fe:β-Ga2O3 crystal reached to 3.63×1011Ω·cm.The high resistivity Fe:β-Ga2O3 single crystals could be applied as the substrate for the high-power field effect transistors(FETs). 展开更多
关键词 Fe:β-ga2o3 crystal high resistivity crystal growth
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Growth and fundamentals of bulk β-Ga_2O_3 single crystals 被引量:4
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作者 H.F.Mohamed Changtai Xia +3 位作者 Qinglin Sai Huiyuan Cui Mingyan Pan Hongji Qi 《Journal of Semiconductors》 EI CAS CSCD 2019年第1期7-15,共9页
The rapid development of bulk β-Ga_2O_3 crystals has attracted much attention to their use as ultra-wide bandgap materials for next-generation power devices owing to its large bandgap(~ 4.9 eV) and large breakdown e... The rapid development of bulk β-Ga_2O_3 crystals has attracted much attention to their use as ultra-wide bandgap materials for next-generation power devices owing to its large bandgap(~ 4.9 eV) and large breakdown electric field of about8 MV/cm. Low cost and high quality of large β-Ga_2O_3 single-crystal substrates can be attained by melting growth techniques widely used in the industry. In this paper, we first present an overview of the properties of β-Ga_2O_3 crystals in bulk form. We then describe the various methods for producing bulk β-Ga_2O_3 crystals and their applications. Finally, we will present a future perspective of the research in the area in the area of single crystal growth. 展开更多
关键词 β-ga2o3 crystal STRUCTURE BULK crystal GRoWTH applications
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Growth and Characteristics of Tunable Laser Crystals β-Ga2O3∶Cr
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作者 Zhang Jungang Xia Changtai Deng Qun Xu Wusheng Shi Hongsheng Wu Feng Xu Jun 《Journal of Rare Earths》 SCIE EI CAS CSCD 2006年第z1期156-158,共3页
β-Ga2O3∶Cr single crystals have potential applications for tunable laser. In β-Ga2O3 crystal structure Cr3+ ions are in octahedron other than tetrahedron. So the Cr3+ ions are influenced by low field of β-Ga2O3 th... β-Ga2O3∶Cr single crystals have potential applications for tunable laser. In β-Ga2O3 crystal structure Cr3+ ions are in octahedron other than tetrahedron. So the Cr3+ ions are influenced by low field of β-Ga2O3 that results the 4T2 to 4A2 transition and show broad emission around 690 nm. β-Ga2O3 single crystals doped with different Cr3+ concentrations were grown by floating zone technique. Their absorption spectra and fluorescence spectra were measured at room temperature. The values of field splitting parameter Dq and Racah parameter B were calculated based on the absorption spectra. 展开更多
关键词 β-ga2o3 CR FLoATING ZoNE technique TUNABLE LASER
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Na_(2)O对锂铝硅微晶玻璃析晶及性能的影响
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作者 郑伟宏 王启东 +3 位作者 高子鹏 张浩 袁坚 田培静 《硅酸盐通报》 CAS 北大核心 2024年第4期1301-1307,共7页
采用熔融法制备了不同Na_(2)O含量的透明锂铝硅微晶玻璃,通过DSC、XRD、FESEM等测试方法研究了不同Na_(2)O含量对玻璃析晶及性能的影响。结果表明:Na_(2)O的引入能显著降低玻璃的转变温度和析晶温度,抑制LiAlSi_(4)O_(10)晶相的析出。但... 采用熔融法制备了不同Na_(2)O含量的透明锂铝硅微晶玻璃,通过DSC、XRD、FESEM等测试方法研究了不同Na_(2)O含量对玻璃析晶及性能的影响。结果表明:Na_(2)O的引入能显著降低玻璃的转变温度和析晶温度,抑制LiAlSi_(4)O_(10)晶相的析出。但Na_(2)O的引入促使微晶玻璃中析出Li_(2)Si_(2)O_(5)新相,并且随着Na_(2)O引入量的增加,Li_(2)Si_(2)O_(5)转变为主晶相。由于晶体尺寸均为纳米级,主晶相的转变对透过率影响较小,微晶玻璃的可见光透过率均高于85%。主晶相的转变有效增强了微晶玻璃的机械性能,其弯曲强度由300 MPa提升至331 MPa。Na_(2)O的引入有效增强了Na-K交换,Na_(2)O含量为4%(质量分数)的Li 2O-Al_(2)O_(3)-SiO_(2)微晶玻璃在410℃的KNO_(3)熔盐中交换6 h后,维氏硬度由7.108 GPa提升至7.403 GPa,弯曲强度由331 MPa提升至470 MPa。 展开更多
关键词 Na_(2)o LiAlSi_(4)o_(10) Li_(2)Si_(2)o_(5) Li_(2)o-Al_(2)o_(3)-Sio_(2)微晶玻璃 主晶相转变 Na-K交换
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A review of β-Ga_2O_3 single crystal defects, their effects on device performance and their formation mechanism 被引量:5
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作者 Bo Fu Zhitai Jia +3 位作者 Wenxiang Mu Yanru Yin Jian Zhang Xutang Tao 《Journal of Semiconductors》 EI CAS CSCD 2019年第1期45-55,共11页
As a wide-bandgap semiconductor(WBG), β-Ga_2O_3 is expected to be applied to power electronics and solar blind UV photodetectors. In this review, defects in β-Ga_2O_3 single crystals were summarized, including dislo... As a wide-bandgap semiconductor(WBG), β-Ga_2O_3 is expected to be applied to power electronics and solar blind UV photodetectors. In this review, defects in β-Ga_2O_3 single crystals were summarized, including dislocations, voids, twin, and small defects. Their effects on device performance were discussed. Dislocations and their surrounding regions can act as paths for the leakage current of SBD in single crystals. However, not all voids lead to leakage current. There's no strong evidence yet to show small defects affect the electrical properties. Doping impurity was definitely irrelated to the leakage current. Finally, the formation mechanism of the defects was analyzed. Most small defects were induced by mechanical damages. The screw dislocation originated from a subgrain boundary. The edge dislocation lying on a plane slightly tilted towards the(102) plane, the(101) being the possible slip plane. The voids defects like hollow nanopipes, PNPs, NSGs and line-shaped grooves may be caused by the condensation of excess oxygen vacancies, penetration of tiny bubbles or local meltback. The nucleation of twin lamellae occurred at the initial stage of "shoulder part" during the crystal growth. These results are helpful in controlling the occurrence of crystal defects and improving the device performance. 展开更多
关键词 β-ga2o3 crystal DEFECTS device performance FoRMATIoN mechanism
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Influence of annealing treatment on the luminescent properties of Ta:β-Ga2O3 single crystal 被引量:1
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作者 Xiaowei Yu Huiayuan Cui +2 位作者 Maodong Zhu Zhilin Xia Qinglin Sai 《Chinese Physics B》 SCIE EI CAS CSCD 2019年第7期475-478,共4页
Ta5+doped β-Ga2O3 single crystals were grown by using the optical floating zone method, and then annealed in the air and nitrogen gas at 1400℃ for 20 hours.The transmittance spectra, photoluminescence(PL), x-ray irr... Ta5+doped β-Ga2O3 single crystals were grown by using the optical floating zone method, and then annealed in the air and nitrogen gas at 1400℃ for 20 hours.The transmittance spectra, photoluminescence(PL), x-ray irradiation spectra, and PL decay profiles of the samples were measured at room temperature.The relevant results show that the optical transmittance of the samples annealed in the air or nitrogen gas was improved.By drawing the(ahv)2–hv graph,it can be seen that the band gap decreased after being annealed in the air, but increased in nitrogen gas.The PL spectra and x-ray irradiation spectra show that the luminescent intensity of the sample annealed in the air increased substantially,while decreased for the sample annealed in nitrogen.The PL decay time of the Ta:β-Ga2O3 annealed in the air increased significantly compared with that of the Ta:β-Ga2O3 sample without annealing, but the tendency after annealing in nitrogen gas was opposite. 展开更多
关键词 Ta:β-ga2o3 FLoATING zone method TRANSMITTANCE spectra ANNEALING
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Effect of Fe_2O_3 on non-isothermal crystallization of CaO-MgO-Al_2O_3-SiO_2 glass 被引量:5
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作者 郁青春 燕春培 +3 位作者 邓勇 冯月斌 刘大春 杨斌 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2015年第7期2279-2284,共6页
The crystallization behavior and kinetics of CaO-MgO-Al2O3 SiO2(CMAS) glass with the Fe2O3 content ranging from zero to 5%were investigated by differential scanning calorimetry(DSC).The structure and phase analyse... The crystallization behavior and kinetics of CaO-MgO-Al2O3 SiO2(CMAS) glass with the Fe2O3 content ranging from zero to 5%were investigated by differential scanning calorimetry(DSC).The structure and phase analyses were made by Fourier transform infrared spectroscopy(FT-IR) and X-ray diffraction(XRD).The experiment results show that the endothermic peak temperature about 760℃ is associated with transition and the exothermic peak temperature about 1000℃ is associated with crystallization.The crystallization peak temperature decreases with increasing the Fe203 content.The crystallization mechanism is changed from two-dimensional crystallization to one-dimensional growth,and the intensity of diopside peaks becomes stronger gradually.There is a saltation for the crystallization temperature with the addition of 0.5%Fe2O3 due to the decomposition of Fe2O3.Si-O-Si,O-Si-O and T-O-T(T=Si,Fe,Al) linkages are observed in Fe2O3-CaO-MgO-Al2O3-SiO2 glass. 展开更多
关键词 Cao-Mgo-Al2o3-Sio2 glass FE2o3 DIoPSIDE crystalLIZATIoN kinetics
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外电场辅助化学气相沉积方法制备网格状β-Ga_2O_3纳米线及其特性研究 被引量:7
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作者 冯秋菊 李芳 +4 位作者 李彤彤 李昀铮 石博 李梦轲 梁红伟 《物理学报》 SCIE EI CAS CSCD 北大核心 2018年第21期360-365,共6页
利用外电场辅助化学气相沉积(CVD)方法,在蓝宝石衬底上制备出了由三组生长方向构成的网格状β-Ga_2O_3纳米线.研究了不同外加电压大小对β-Ga_2O_3纳米线表面形貌、晶体结构以及光学特性的影响.结果表明:外加电压的大小对样品的表面形... 利用外电场辅助化学气相沉积(CVD)方法,在蓝宝石衬底上制备出了由三组生长方向构成的网格状β-Ga_2O_3纳米线.研究了不同外加电压大小对β-Ga_2O_3纳米线表面形貌、晶体结构以及光学特性的影响.结果表明:外加电压的大小对样品的表面形貌有着非常大的影响,有外加电场作用时生长的β-Ga_2O_3纳米线取向性开始变好,只出现了由三组不同生长方向构成的网格状β-Ga_2O_3纳米线;并且随着外加电压的增加,纳米线分布变得更加密集、长度明显增长.此外,采用这种外电场辅助的CVD方法可以明显改善样品的结晶和光学质量. 展开更多
关键词 外电场 化学气相沉积 β-ga2o3 纳米线
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β-Ga_2O_3单晶浮区法生长及其光学性质 被引量:9
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作者 张俊刚 夏长泰 +5 位作者 吴锋 裴广庆 徐军 邓群 徐悟生 史宏生 《功能材料》 EI CAS CSCD 北大核心 2006年第3期358-360,363,共4页
用浮区法生长得到了宽禁带半导体材料β-Ga2O3单晶,对其吸收光谱、荧光光谱进行了分析。解释了禁带部分展宽的原因。并研究了Sn4+和Ti4+的掺杂对其紫外吸收边影响。-βGa2O3单晶的荧光谱不仅观察到了3个特征峰:紫外光(395nm)、蓝光(471... 用浮区法生长得到了宽禁带半导体材料β-Ga2O3单晶,对其吸收光谱、荧光光谱进行了分析。解释了禁带部分展宽的原因。并研究了Sn4+和Ti4+的掺杂对其紫外吸收边影响。-βGa2O3单晶的荧光谱不仅观察到了3个特征峰:紫外光(395nm)、蓝光(471nm)、绿光(559nm),还观察到了在277和297nm的紫外光和692nm的红光荧光发射。 展开更多
关键词 浮区法 宽禁带半导体 β-ga2o3单晶
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Ti掺杂β-Ga_2O_3电子结构和光学性质的第一性原理计算 被引量:5
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作者 郭艳蕊 严慧羽 +2 位作者 宋庆功 陈逸飞 郭松青 《材料导报》 EI CAS CSCD 北大核心 2015年第8期142-145,149,共5页
采用基于密度泛函理论框架下的第一性原理计算方法,研究了Ti掺杂β-Ga2O3系统的电子结构和光学性质。计算结果表明,Ti替代八面体的Ga(2)时系统形成能最低,容易在实验上合成;Ti掺杂在导带底附近引入了浅施主能级,极大地提高了β-Ga2O3系... 采用基于密度泛函理论框架下的第一性原理计算方法,研究了Ti掺杂β-Ga2O3系统的电子结构和光学性质。计算结果表明,Ti替代八面体的Ga(2)时系统形成能最低,容易在实验上合成;Ti掺杂在导带底附近引入了浅施主能级,极大地提高了β-Ga2O3系统的导电性。Ti掺杂时稳定体系倾向于自旋极化态,且费米面处自旋极化率接近100%。光学性质的计算结果显示,Ti掺杂β-Ga2O3是极具潜力的n型紫外透明的半导体。 展开更多
关键词 第一性原理 Ti掺杂β-ga2o3 电子结构 光学性质
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β-Ga_2O_3薄膜的分子束外延生长及其紫外光敏特性研究 被引量:6
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作者 王伟 褚夫同 +1 位作者 岳超 刘兴钊 《电子元件与材料》 CAS CSCD 北大核心 2013年第5期17-19,共3页
采用分子束外延(MBE)方法在Al2O3(0001)基片上生长了β-Ga2O3薄膜,利用XRD、SEM和AFM对薄膜的结构和形貌特性进行了表征。制作了基于β-Ga2O3薄膜的金属-半导体-金属(MSM)结构紫外探测器并对其进行了电学特性测试,结果表明:在20 V偏压下... 采用分子束外延(MBE)方法在Al2O3(0001)基片上生长了β-Ga2O3薄膜,利用XRD、SEM和AFM对薄膜的结构和形貌特性进行了表征。制作了基于β-Ga2O3薄膜的金属-半导体-金属(MSM)结构紫外探测器并对其进行了电学特性测试,结果表明:在20 V偏压下,器件的暗电流为8 nA;在波长为254 nm、光照强度为13×10–6W/cm2的紫外光照射下,器件的光电流为624 nA;器件的光电流与暗电流比值为78,光响应度达360 A/W,表现出明显的日盲紫外光响应特性。 展开更多
关键词 β-ga2o3 分子束外延 日盲 MSM 紫外探测器 光响应度
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超宽禁带半导体β-Ga2O3单晶生长突破2英寸 被引量:8
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作者 唐慧丽 何诺天 +7 位作者 罗平 郭超 李秋 吴锋 王庆国 潘星宇 刘波 徐军 《人工晶体学报》 CSCD 北大核心 2017年第12期2533-2534,共2页
氧化镓(β—Ga2O3)单品是一种第四代超宽禁带氧化物半导体,其禁带宽度为4.8~4.9eV,具有独特的紫外透过特性(吸收截止边~260nm);击穿电场强度高达8MV/cm,是si的近27倍、SiC及GaN的2倍以上,巴利加优值分别是SiC、GaN的10倍... 氧化镓(β—Ga2O3)单品是一种第四代超宽禁带氧化物半导体,其禁带宽度为4.8~4.9eV,具有独特的紫外透过特性(吸收截止边~260nm);击穿电场强度高达8MV/cm,是si的近27倍、SiC及GaN的2倍以上,巴利加优值分别是SiC、GaN的10倍、4倍以上. 展开更多
关键词 宽禁带半导体 β-ga2o3 单晶生长 氧化物半导体 击穿电场强度 禁带宽度 透过特性 GaN
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Study on Optical Activities of A3BGa3Si2O14 Crystals
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作者 Wei Aijian Wang Baolin Yuan Duorong 《Journal of Rare Earths》 SCIE EI CAS CSCD 2006年第4期391-391,共1页
Four crystals with the general formula of A3BGa3Si2O14 (A = Ca^2+, Sr^2+; B=Nb^5+ , Ta^5+) grown by using the Czoehralsky technique were reported. They are all uniaxial and belong to 32 point group. Their transm... Four crystals with the general formula of A3BGa3Si2O14 (A = Ca^2+, Sr^2+; B=Nb^5+ , Ta^5+) grown by using the Czoehralsky technique were reported. They are all uniaxial and belong to 32 point group. Their transmission, rotatory angle and specific rotation dispersion were investigated by speetrophotometer and compared with LGS. The transmission spectra show that they are transparent in the visible wavelength region beyond 294 nm and infrared region, and their transmission are all larger than that of LGS.The transmission spectra between parallel polasizers show that they have large optical activities which are larger than that of LGS. Of the four crystals, Sr3NbGa3Si2O14 has the largest optical activity : 240.75 (°)·mm^-1 at 0.30 μm wavelength, 34.73 (°) ·mm^-1 at 0. 633 μm wavelength. The Bohzmann's coefficients of these crystals were calculated, which were in good agreement with earlier measurement in other reference. 展开更多
关键词 inorganic non-metallic materials crystal growth A3BGa3Si2o14 crystal optical activity boltzmann's coefficients rare earths
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β-Ga_2O_3及Cr掺杂β-Ga_2O_3电子结构的第一性原理计算 被引量:2
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作者 李伟 梁二军 +2 位作者 邢怀中 丁宗玲 陈效双 《材料导报》 EI CAS CSCD 北大核心 2007年第F05期250-252,共3页
运用第一性原理密度泛函理论(DFT)计算了不同交换关联势下单斜晶系β-Ga2O3的总能量、晶格常数、总态密度、分波态密度及能带结构。理论计算结果表明:单斜晶系β-Ga2O3在局域密度近似(LDA)和广义梯度近似(GGA)下的晶格常数和带隙与实验... 运用第一性原理密度泛函理论(DFT)计算了不同交换关联势下单斜晶系β-Ga2O3的总能量、晶格常数、总态密度、分波态密度及能带结构。理论计算结果表明:单斜晶系β-Ga2O3在局域密度近似(LDA)和广义梯度近似(GGA)下的晶格常数和带隙与实验值基本相符,其中LDA近似得到的晶格常数与实验值更接近;β-Ga2O3比六方晶系结构的α-Ga2O3更加稳定,但带隙比α-Ga2O3略小;Cr掺杂导致β-Ga2O3禁带宽度变小,费米能级处的态密度不为零,即变为半金属。 展开更多
关键词 β-ga2o3 电子结构 第一性原理 铬掺杂
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Synthesis and CrystalStructure of Dicesiumtrans-Dicarbonatotetraaquom agnesium ,Cs_2[Mg(CO_3)_2(H_2O)_4]
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作者 ZHENG Yue-qing ADAM Arnold 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1999年第3期211-217,共7页
The title compound, Cs 2[Mg(CO 3) 2(H 2O) 4], was synthesized by the dropwise addition of an aqueous solution of Mg(NO 3) 2 to a stirred aqueous Cs 2CO 3/CsHCO 3 solution. A colorless needle shaped crystal was formed ... The title compound, Cs 2[Mg(CO 3) 2(H 2O) 4], was synthesized by the dropwise addition of an aqueous solution of Mg(NO 3) 2 to a stirred aqueous Cs 2CO 3/CsHCO 3 solution. A colorless needle shaped crystal was formed by slow evaporation. The crystal structure was established on the basis of the single crystal X ray diffraction data. Cs 2[Mg(CO 3) 2(H 2O) 4] crystallized in the orthorhombic space group Pbca (No. 61) with a =0.658 4(1) nm, b =1.257 9(1) nm, c =1.301 3(1) nm, \{ V =1.077 8 nm 3, Z =4, D x=2.971 g·cm -3 , μ =69.20 cm -1 , F (000)=888, T =298 K, final R =0.029 and R w=0.024 for 1 037 observed reflections. The crystal consists of Cs + cations and the complex trans [Mg(CO 3) 2(H 2O) 4] 2- anions with each Mg atom coordinated by the six oxygens of two carbonate groups and four water molecules [ d (Mg_O)=0.203 6(4), 0.207 4(4), 0.213 4(4) nm]. The complex trans [Mg(CO 3) 2(H 2O) 4] 2- anions are arranged in a strongly compressed bcc pattern. A 3D network was formed through the intermolecular hydrogen bonds. The Cs + cations are located in cavities, each being surrounded by nine oxygens of five complex anions with d (Cs_O)=0.306 1-0.348 8 nm. The CO 2- 3 group reveals a lowering of D 3h symmetry due to site and coordination effects, but not any observable deviation from co planarity [ d (C_O)=0.127 2(6), 0.127 5(7) , 0.130 5(6) nm and O_C_O=119.6(5)°, 120.1(5)°, 120.4(5)°]. 展开更多
关键词 SYNTHESIS Cs 2[Mg(Co 3) 2(H 2o) 4] Dicesium trans dicarbonatotetraaquomagnesium crystal structure Complex carbonate
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β-Ga_2O_3掺Al的电子结构与能带特性研究 被引量:3
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作者 郑树文 范广涵 皮辉 《功能材料》 EI CAS CSCD 北大核心 2014年第12期12102-12107,共6页
采用第一性原理的平面波超软赝势方法,对β-Ga2O3掺Al的AlxGa2-xO3(x=0,0.5,1,1.5,2)合金进行结构优化、电子态密度和能带特性的研究。结果显示,AlxGa2-xO3为间接宽能隙材料,能隙是由导带底Ga 4s态和价带顶O 2p态共同决定,其弯曲系数分... 采用第一性原理的平面波超软赝势方法,对β-Ga2O3掺Al的AlxGa2-xO3(x=0,0.5,1,1.5,2)合金进行结构优化、电子态密度和能带特性的研究。结果显示,AlxGa2-xO3为间接宽能隙材料,能隙是由导带底Ga 4s态和价带顶O 2p态共同决定,其弯曲系数分别为0.452eV(直接)和0.373eV(间接)。当增大Al的掺杂量,AlxGa2-xO3的体积变小,总能量升高,能隙逐渐增大,这与实验结果相一致。 展开更多
关键词 第一性原理 β-ga2o3 AL掺杂 电子结构 能带特性
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Cu掺杂β-Ga_2O_3电子结构和磁学性质的第一性原理研究 被引量:2
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作者 郭艳蕊 严慧羽 +2 位作者 宋庆功 郭松青 陈逸飞 《材料导报》 EI CAS CSCD 北大核心 2014年第14期142-146,共5页
采用基于密度泛函理论框架下的第一性原理方法,结合广义梯度近似研究了Cu掺杂β-Ga2O3系统的磁学特性。计算结果表明,单Cu的掺杂,稳定体系倾向于自旋极化态,且Cu替代八面体的Ga(B)时系统更稳定,容易在实验上形成;Cu掺杂β-Ga2O3呈现出... 采用基于密度泛函理论框架下的第一性原理方法,结合广义梯度近似研究了Cu掺杂β-Ga2O3系统的磁学特性。计算结果表明,单Cu的掺杂,稳定体系倾向于自旋极化态,且Cu替代八面体的Ga(B)时系统更稳定,容易在实验上形成;Cu掺杂β-Ga2O3呈现出半金属特性,Cu的掺杂引入了2.0μB磁矩,其中局域在Cu原子上的磁矩为0.45μB,其余主要来自于Cu杂质周围的氧原子。由于电荷补偿效应,在Cu掺杂β-Ga2O3系统中引入氧空位时,体系磁矩减小到零。在2个Cu取代Ga的10种构型中,A1-B3构型的能量最低,且显示出铁磁性,磁矩为3.8μB。考虑氧空位后,A1-B3构型的反铁磁性和铁磁性能量差增大,磁矩减小到1.0μB。 展开更多
关键词 第一性原理 Cu掺杂β-ga2o3 电子结构 磁耦合
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Bi_2O_3-Ga_2O_3-CdO系统玻璃的Raman光谱和X射线光电子能谱研究 被引量:2
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作者 陈丹平 姜雄伟 +1 位作者 朱从善 三浦嘉也 《硅酸盐学报》 EI CAS CSCD 北大核心 2002年第1期65-72,共8页
用X射线光电子能谱和Raman光谱研究了Bi2 O3-Ga2 O3-CdO系统玻璃的结构 .Raman光谱曲线被分离成 6个谱带 ,4条谱带分属于不同键长的Bi—O振动 ,一条谱带属于Ga—O振动 .Bi2 O3-Ga2 O3 二元系统玻璃的Raman散射最强峰位于 40 0~ 42 0cm-... 用X射线光电子能谱和Raman光谱研究了Bi2 O3-Ga2 O3-CdO系统玻璃的结构 .Raman光谱曲线被分离成 6个谱带 ,4条谱带分属于不同键长的Bi—O振动 ,一条谱带属于Ga—O振动 .Bi2 O3-Ga2 O3 二元系统玻璃的Raman散射最强峰位于 40 0~ 42 0cm- 1 ,当Ga3 + 离子被Cd2 + 离子取代后 ,Raman散射最强峰移向 5 95~ 6 30cm- 1 .随着Ga2 O3 含量的增加 ,位于高波数属于Bi—O振动的 2条谱带强度降低并朝低波数移动 ;位于低波数属于Bi—O振动的 2条谱带强度增加并朝高波数移动 ,添加CdO则出现相反的效应 .X射线光电子能谱显示出非常低的O1s电子结合能 ,甚至低于碱硅酸盐玻璃中非桥氧的O1s电子结合能 ,并且不可能分为桥氧和非桥氧 ,O1s和Bi4f的电子结合能都随Ga2 O3 展开更多
关键词 玻璃结构 RAMAN光谱 X射线光电子能谱 Bi2o3-ga2o3-Cdo系统玻璃
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Mg单原子替位掺杂β-Ga_2O_3的电子结构和光学性质计算研究 被引量:2
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作者 宋庆功 徐霆耀 +2 位作者 杨宝宝 郭艳蕊 陈逸飞 《材料导报》 EI CAS CSCD 北大核心 2015年第18期122-126,共5页
宽禁带半导体β-Ga2O3因其出色的物理化学性能而备受关注,通过掺杂改善β-Ga2O3性能一直是研究的热点。采用基于密度泛函理论的第一性原理方法,利用广义梯度近似加U对Mg单原子掺杂β-Ga2O3体系的晶体结构、电子结构和光学性质等进行了... 宽禁带半导体β-Ga2O3因其出色的物理化学性能而备受关注,通过掺杂改善β-Ga2O3性能一直是研究的热点。采用基于密度泛函理论的第一性原理方法,利用广义梯度近似加U对Mg单原子掺杂β-Ga2O3体系的晶体结构、电子结构和光学性质等进行了研究和分析。总能量和结合能的对比显示:单原子替位掺杂β-Ga2O3时,Mg优先替代八面体位的Ga原子形成Mg-GaO体系。电子结构显示,Mg-GaO体系变为间接半导体,带隙变窄为4.672eV;其自旋极化率为100%,呈现半金属特性。作为光学材料,Mg-GaO体系可在紫外、深紫外区域工作,并且折射率、反射率和吸收率有所降低,透射率明显提高。 展开更多
关键词 Mg掺杂β-ga2o3 第一性原理 晶体结构 电子结构 光学性质
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用于低温浆态床二甲醚水蒸气重整制氢的水解组分γ-Ga_2O_3的制备与表征 被引量:2
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作者 王东升 张素玲 +2 位作者 魏磊 卢艳红 景学敏 《燃料化学学报》 EI CAS CSCD 北大核心 2018年第6期666-672,共7页
以有机溶剂均匀沉淀法制备了镓的氧化物,借助XRD、NH_3-TPD、TEM和BET等手段对物相结构、表面性质等进行了表征。结果表明,制备过程中得到的前驱体为GaOOH,前驱体经500℃热处理后得到γ-Ga_2O_3。γ-Ga_2O_3的晶格类型与γ-Al_2O_3相似... 以有机溶剂均匀沉淀法制备了镓的氧化物,借助XRD、NH_3-TPD、TEM和BET等手段对物相结构、表面性质等进行了表征。结果表明,制备过程中得到的前驱体为GaOOH,前驱体经500℃热处理后得到γ-Ga_2O_3。γ-Ga_2O_3的晶格类型与γ-Al_2O_3相似,为有阳离子缺陷的立方尖晶石结构。表面具有酸量较大的中强酸中心,而弱酸中心含量相对较少。微观上大多为厚10 nm、直径100 nm左右的二维纳米片,大部分纳米片分布于一个方向,一些组成花瓣形。将制得的γ-Ga_2O_3用于DME水解反应,结果表明,270℃下DME的转化率可达24%,接近平衡转化率,反应后催化剂的织构性质没有显著变化,比表面积仍可达到130 m2/g。将γ-Ga_2O_3与Cu基催化剂复合后用于270℃下的低温浆态床DME水蒸气重整反应,DME转化率和H_2选择性高达99%和68%,经200 h反应后催化剂仍能保持95%以上的活性,表现出良好的工业化应用前景。 展开更多
关键词 均匀沉淀法 γ-ga2o3 低温 浆态床 二甲醚 水蒸气重整
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