Phase matching characteristics of deuterated ammonium dihydrogen phosphate crystals

Refractive indices for crystals ammonium dihydrogen phosphate(ADP), 30% deuterated ADP(DADP), 50%DADP, and 70% DADP are measured from 253 to 1529 nm with 5 × 10-6accuracy. Numerical fits to modified double-pole Sellmeier equation are made. Second-harmonic generation, third-harmonic generation phase matching(PM) angles, and noncritical PM(NCPM) wavelengths are calculated using the Sellmeier parameters. The deuterated crystals show smaller PM angles than pure crystal. Fourth-harmonic generation process can be realized by DADP in smaller deuterium content than deuterated potassium dihydrogen phosphate(DKDP).The measured NCPM wavelengths are consistent with the calculated value. PM characteristics are compared between DADP and DKDP.     

Effect of S Substitution for P Point Defects in KDP Crystals： First-Principles Study

The electronic structure and geometric distribution of phosphor replaced by sulfur in potassium dihydrogen phosphate （KDP） are investigated by first-principles calculations. The point defect narrows down the energy gap to about 4.9eV, corresponding to a two-photon absorption of 355nm after correction. This can explain the decrease of the laser damage resistance in KDP crystals. Moreover, the defects twist the crystal structure and weaken bonds, especially the O-H bonds, so these bonds may be the first sites to crack under laser irradiation.     

Effect of raw material and growth method on optical properties of DKDP crystal

Three kinds of KH2PO4 raw material are used to grow deuterated potassium dihydrogen phosphate （DKDP） crystals by traditional and rapid growth methods, respectively. The growth habit dependence on the purity of raw material is described and analyzed. The optical properties including transmission spectra and laser-induced damage threshold of these crystals are measured. It is found that the growth method affects the optical properties of crystal more obviously than the raw material with the mass content of main metal ions below 1 ppm. Moreover, the morphology of the core in the observed damage sites indicates that an explosion process probably occurs during laser-induced breakdown.     

Comment on ＇Electronic Properties of Red P-Type T12S5 Single Crystals＇

Recently, Gamal et al. [Chin. Phys. Left. 22 （2005） 1530] reported the results of electrical conductivity, Hall effect and thermoelectric measurements on p-type T12S5 single crystals. From the experimental data for the temperature dependence of differential thermoelectric power, G amal et al. determined the values of 2.66 × 10^-41 kg and 2.50 × 10^-41 kg, respectively, for the effective masses of electrons and holes in p-type T12S5, which are about ten orders of magnitude smaller than the free electron mass （9.11 × 10^-31 kg）. We argue that the anomalously small values obtained for the effective mass of charge carriers in T12S5 have no physical significance.     

Magnetocrystalline Anisotropy and Magnetoelasticity of Preferentially Oriented Martensitic Variants in Ni52Mn24Ga24 Single Crystals

The magnetocrystalline anisotropy and magnetoelasticity of preferentially oriented martensitic variants in an off-stoichiometric Ni52Mn24Ga24 single crystal have been investigated.We found that the easy magnetization direction of the martensite phase in the [110] direction,and the hard magnetization exhibited in [001],the growth direction of single crystals.The temperature dependence of the anisotropy fields and constants of Ni52Mn24Ga24 have been determined.It was found that,at the martensite phase,the anisotropy field increases monotonically with decreasing temperature,but the anisotropy constant first increases rapidly and then the increasing rate becomes smaller and smaller.Based on a previous model,the present results suggest that the competition between the Zeeman energy and the magnetocrystalline anisotropy energy is mainly responsible for the magnitude of magnetic-field-induced strain in this material.     

Synthesis of [100] Wurtzite InN Nanowires and [011] Zinc-Blende InN Nanorods

One-dimensional wurtzite InN nanowires and zincblende InN nanorods are prepared by chemical vapour deposition （CVD） method on natural cleavage plane （110） of GaAs. The growth direction of InN nanowires is [100], with wurtzite structure. The stable crystal structure of InN is wurtzite （w-InN）, zincblende structure （z-InN） is only reported for 2D InN crystals before. However, in this work, the zincblende InN nanorods [011] are synthesized and characterized. The SEM and TEM images show that every nanorod shapes a conical tip, which can be explained by the anisotropy of growth process and the theory of Ehrlich Schwoebel barrier.     

Electronic structures and magnetism of Fe nanowires on Cu（001） and Ag（O01）： A first-principles study

The electronic structures and magnetism of Fe nanowires along the [110] direction on Cu（001） and Ag（001） [Fe（nw）/Cu（001） and Fe（nw）/Ag（001）] are investigated by using the all-electron full-potential linearized augmented plane wave method in the generalized gradient approximation. It is found that the magnetic moment of Fe atom for the Fe（nw）/Cu（001） is 2.99#B, which is slightly smaller than that （3.02μB） for the Fe（nw）/Ag（001） but much larger than that （2.22μB） for the bcc iron. The great enhancement of magnetic moment in the Fe nanowires can be explained by the Fe d-band narrowing and enhancement of the spin-splitting due to a reduction in coordination number, From the calculated spin-polarized layer-projected density of states, it is found that the Fe 3d-states are strongly hybridized with the adjacent Cu 3d-states in the Fe（nw）/Cu（001）, and there exists a strong hybridization between the Fe sp-and the adjacent Ag 4d-states in the Fe（nw）/Ag（001）.     

Effects of N doping on photoelectric properties of along different directions of ZnO bulk and nanotube

The electronic structures and optical properties of N-doped Zn O bulks and nanotubes are investigated using the firstprinciples density functional method. The calculated results show that the main optical parameters of Zn O bulks are isotropic（especially in the high frequency region）, while Zn O nanotubes exhibit anisotropic optical properties. N doping results show that Zn O bulks and nanotubes present more obvious anisotropies in the low-frequency region. Thereinto, the optical parameters of N-doped Zn O bulks along the [100] direction are greater than those along the [001] direction, while for N-doped nanotubes, the variable quantities of optical parameters along the [100] direction are less than those along the[001] direction. In addition, refractive indexes, electrical conductivities, dielectric constants, and absorption coefficients of Zn O bulks and nanotubes each contain an obvious spectral band in the deep ultraviolet（UV）（100 nm～ 300 nm）. For each of N-doped Zn O bulks and nanotubes, a spectral peak appears in the UV and visible light region, showing that N doping can broaden the application scope of the optical properties of Zn O.     

Study of theoretical tensile strength of Fe by afirst-principles computational tensile test

This paper employs a first-principles total-energy method to investigate the theoretical tensile strengths of bcc and fcc Fe systemically. It indicates that the theoretical tensile strengths are shown to be 12.4, 32.7, 27.5~GPa for bcc Fe, and 48.1, 34.6, 51.2~GPa for fcc Fe in the [001], [110] and [111] directions, respectively. For bcc Fe, the [001] direction is shown to be the weakest direction due to the occurrence of a phase transition from ferromagnetic bcc Fe to high spin ferromagnetic fcc Fe. For fcc Fe, the [110] direction is the weakest direction due to the formation of an instable saddle-point `bct structure' in the tensile process. Furthermore, it demonstrates that a magnetic instability will occur under a tensile strain of 14%, characterized by the transition of ferromagnetic bcc Fe to paramagnetic fcc Fe. The results provide a good reference to understand the intrinsic mechanical properties of Fe as a potential structural material in the nuclear fusion Tokamak.     

Description of ^178Hf^m2 in the Constrained Relativistic Mean Field Theory

Properties of the ground state of ^178Hf and the isomeric state ^178Hf^m2 are studied within the adiabatic and diabatie constrained relativistic mean field （RMF） approaches. The RMF calculations reproduce well the binding energy and the deformation for the ground state of ^178Hf. Using the ground state single-particle eigenvalues obtained in the present eaiculation, the lowest excitation configuration with K^π = 16^＋ is found to be v（7/2^-[514]）^-1（9/2^＋ [624]）^1 π（7/2^＋ [404]）^-1 （9/2^-[514]）^1. Its excitation energy caiculated by the RMF theory with time-odd fields taken into account is equal to 2.801 MeV, i.e., close to the ^178Hf^m2 experimentai excitation energy 2.446 MeV. The self-consistent procedure accounting for the time-odd component of the meson fields is the most important aspect of the present calculation.     

Mechanoluminescence of ferroelectric crystals

Mechanoluminescence spectra of triglycine sulfate, guanidine aluminium sulfate, rochelle salt, diglycine manganous chloride dihydrate, lithium ammonium tartate monohydrate and potassium dihydrogen phosphate crystals resemble the discharge spectra of nitrogen gases. Glycine silver nitrate, thiourea, ammonium sulfate and azobenzene crystals, the structure of which is centrosymmetric at room temperature, do not show mechanoluminescence. Following the role of crystal structure, the mechanoluminescence excitation is discussed on the basis of the piezo-electrification of the new surfaces created during fracture of the crystals.     

Co-Al-W基高温合金的团簇成分式

Co-Al-W基高温合金具有类似于Ni基高温合金的γ+γ'相组织结构.根据面心立方固溶体的团簇加连接原子结构模型,Ni基高温合金的成分式即最稳定的化学近程序结构单元可以描述为第一近邻配位多面体团簇加上次近邻的三个连接原子.本文应用类似方法,首次给出了Co-Al-W基高温合金的团簇成分式.利用原子半径和团簇共振模型,可计算出Co-Al-W三元合金的团簇成分通式,为[Al-Co_(12)](Co,Al,W)_3,即以Al为中心原子、Co为壳层原子的[Al-Co_(12)]团簇加上三个连接原子.对于多元合金,需要先将元素进行分类:溶剂元素——类Co元素Co (Co, Cr, Fe, Re, Ni,Ir,Ru)和溶质元素——类Al元素Al (Al,W,Mo, Ta,Ti,Nb,V等);进而根据合金元素的配分行为,将类Co元素分为Co~γ(Cr, Fe, Re)和Co~(γ')(Ni, Ir, Ru);根据混合焓,将类Al元素分为Al, W (W, Mo)和Ta (Ta, Ti, Nb, V等).由此,任何多元Co-Al-W基高温合金均可简化为Co-Al伪二元体系或者Co-Al-(W,Ta)伪三元体系,其团簇加连接原子成分式为[Al-Co_(12)](Co_(1.0)Al_(2.0))(或[Al-Co_(12)] Co_(1.0)Al_(0.5)(W,Ta)_(1.5)=Co_(81.250)Al_(9.375)(W,Ta)_(9.375) at.%).其中,γ与γ'相的团簇成分式分别为[Al-Co_(12)](Co_(1.5)Al_(1.5))(或[Al-Co_(12)] Co_(1.5)Al_(0.5)(W,Ta)_(1.0)=Co_(84.375)Al_(9.375)(W,Ta)_(6.250) at.%)和[Al-Co_(12)](Co_(0.5)Al_(2.5))(或[Al-Co_(12)] Co_(0.5)Al_(0.5)(W, Ta)_(2.0)=Co_(78.125)Al_(9.375)(W,Ta)_(12.500)at.%).例如,Co_(82)Al_9W_9合金的团簇成分式为[Al-Co_(12)]Co_(1.1)Al_(0.4)W_(1.4)(～[Al-Co_(12)]Co_(1.0)Al_(0.5)W_(1.5)),其中γ相的团簇成分式为[Al-Co_(12)]Co_(1.6)Al_(0.4)W_(1.0)(～[Al-Co_(12)]Co_(1.5)Al_(0.5)W_(1.0)),γ'相的团簇成分式为[Al-Co_(12)]Co_(0.3)Al_(0.5)W_(2.2)(～[AlCo_(12)]Co_(0.5)Al_(0.5)W_(2.0)).     

On the definition of a diffusion constant in a nonequilibrium system

A diffusion constant for electrons in a current-carrying semiconductor can be unambiguously defined in nearly uniform systems. For frequency-dependent density gradients it is $$D_{\alpha \beta } (\omega ) \equiv \int\limits_0^\infty {dt e^{i\omega t} \overline {\Delta \upsilon _\alpha (t)\Delta \upsilon _\beta (0),} } $$ where \(\overline {\Delta \upsilon _\alpha (t)\Delta \upsilon _\beta (0)} \) is the velocity correlation function with respect to the steady state in a bias field. This result has been elucidated in the relaxation approximation by different approaches to the diffusion problem. Essential for its derivation is a statistical independence assumption of space and velocities, and in order to get a classical diffusion law of Fick's type certain velocities have to be distributed according to the steady state in a bias field. Diffusion constant and noise temperature are discussed for a few band structures in the relaxation approximation.     

Output properties of diode-pumped passively Q-switched 1.06 μm Nd:GdVO4 laser using a [100]-cut Cr4+:YAG crystal

A passively Q-switched 1.06???m Nd:GdVO₄ laser with a [100]-cut Cr⁴⁺:YAG saturable absorber was demonstrated. The output characteristics were investigated when the anisotropic transmission of Cr⁴⁺:YAG crystal and the incident pump power level were considered. The experimental results showed that it was feasible to generate laser with narrower pulse width (?? _p ), higher pulse energy and peak power when the polarization direction of laser was parallel to the [001], [010], [ $00\overline{1}$ ], and [ $0\overline{1}0$ ] orientations of the Cr⁴⁺:YAG crystal. The different changes of ?? _p as a function of incident pump power was observed due to the anisotropy of transmission of Cr⁴⁺:YAG and the different gain levels (pump power levels). If the Cr⁴⁺:YAG was fully bleached as a result of high cavity gain or due to the laser polarization direction was parallel to the [001], [010], [ $00\overline{1}$ ], and [ $0\overline{1}0$ ] orientations, ?? _p was constant, otherwise ?? _p decreased when the gain increased.     

Raman gains of ADP and KDP crystals

In this paper, the Raman gain coefficients of ammonium dihydrogen phosphate(ADP) and potassium dihydrogen phosphate(KDP) crystals are measured. By using a pump source of a 30-ps, 532-nm laser, the gain coefficients of ADP and KDP are 1.22 cm/GW, and 0.91 cm/GW, respectively. While for a 20-ps, 355-nm pump laser, the gain coefficients of these two crystals are similar, which are 1.95 cm/GW for ADP and 1.86 for KDP. The present results indicate that for ultra-violet frequency conversion, the problem of stimulated Raman scattering for ADP crystal will not be more serious than that for KDP crystal. Considering other advantages such the larger nonlinear optical coefficient, higher laser damage threshold,and lower noncritical phase-matching temperature, it can be anticipated that ADP will be a powerful competitor to KDP in large aperture, high energy third-harmonic generation or fourth-harmonic generation applications.     

Evaluation of multiaxial stress in textured cubic films by x-ray diffraction

X-ray diffraction is used extensively to determine the residual stress in bulk or thin film materials on the as- sumptions that the material is composed of fine crystals with random orientation and the stress state is biaxial and homogeneous through the x-ray penetrating region. The stress is calculated from the gradient of ε ～ sin^2 φ linear relation. But the method cannot be used in textured films due to nonlinear relation. In this paper, a novel method is proposed for measuring the multiaxial stresses in cubic films with any [hkl] fibre texture. As an example, a detailed analysis is given for measuring three-dimensional stresses in FCC films with [111] fibre texture.     

Multiwavelength investigation of laser-damage performance in potassium dihydrogen phosphate after laser annealing

The laser-induced damage performance of potassium dihydrogen phosphate and deuterated potassium dihydrogen phosphate nonlinear optical crystals after pre-exposure to lower-energy laser pulses (laser annealing, also known as laser conditioning) is investigated as a function of wavelength for both the damaging and conditioning pulses. We obtain a quantitative evaluation of the bulk damage performance of these materials by measuring the density of damage events as a function of laser parameters. This new method allows for a detailed assessment of the improvement of material performance from laser conditioning and reveals the key parameters for optimizing performance depending on the operational wavelength.     

Accurate studies of dissociation energies and vibrational energies on alkali metals

This paper studies full vibrational spectra {Ev} and molecular dissociation energies De by using conventional least-squares （LS） fitting and an algebraic method （AM） proposed recently for 10 diatomic electronic states of ^7Li2, Na2, NaK and NaLi molecules based on some known experimental vibrational energies in a subset [Ev^expt] respectively. Studies show that： （1） although both the full AM spectrum {Ev^AM} and the LS spectrum {Ev^LS} can reproduce the known experimental energies in [Ev^expt], the {EAM} is superior to the {Ev^LS} in that the high-lying AM vibrational energies which may not be available experimentally have better or much better accuracy than those LS counterparts in {Ev^LS}, and so is the AM dissociation energy De^AM; （2） the main source of the errors in the data obtained by using the LS fitting is that the fitting which is just a pure mathematical process does not use any physical criteria that must be satisfied by the full vibrational spectrum, while the AM method does. This study suggests that when fitting or solving a physical equation using a set of source data, it is important not only to apply a proper mathematical tool, but also to use correct physical criteria which measure the physical properties of the data, kick out those data having bigger errors, and impose conditional convergence on the numerical process.     

砷酸钛氧铷单晶的散射光谱

本文研究了砷酸钛氧铷ＲｂＴｉＯＡｓＯ４ｕ单晶在各种不同几何配置下的拉曼散射光谱,并与磷酸钛氧铷、砷酸钛氧钾、磷酸钛氧钾单晶的振动光谱进行了比较。