共查询到20条相似文献,搜索用时 15 毫秒
1.
以Ar作压力介质,在0~23 GPa压力范围内,利用金刚石压腔装置(DAC)和激光加温技术,采用显微拉曼光谱进行原位测试,对处于准静水压力条件下的斜锆石开展高温高压相变研究。研究结果表明:室温下斜锆石ZrO2于3.4 GPa时开始发生相变,到10.4 GPa时其明显转变成一个空间群为Pbca的斜方相。此新相随着压力升高,直到15.3 GPa,仍稳定存在。通过研究,首次获得了Pbca相的拉曼谱图。随后在15.3 GPa压力下进行了激光加温后淬火,结果发现,加热前的Pbca相又转变成了空间群为Pnam的PbCl2结构类型的高压相,该相直到实验最高压力23 GPa仍稳定存在。 相似文献
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Xin Xin Wang Tsin Chi Yang 《IEEE transactions on plasma science. IEEE Nuclear and Plasma Sciences Society》1993,21(1):175-180
The development of plasma sheath in the run-down phase and pinch phase in a plasma focus is studied with laser interferometry. The time-resolved interferograms show that the structures of plasma sheaths in the run-down phase are different at low and high pressures of filling gas. This leads to a distinct plasma pattern above the anode. At low pressure the plasma sheath in the run-down phase has clear boundaries, resulting in better compression in the pinch phase and a higher X-ray yield. At high pressure the plasma sheath is turbulent at the back side and become disordered in the pinch phase, giving little or no X-ray emission. The effect of a ceiling, i.e., a metal plate placed above the anode, is investigated. With the ceiling the reproducibility of X-ray emission is much improved 相似文献
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金红石高温高压相变的Raman光谱特征 总被引:3,自引:2,他引:1
以Ar作压力介质,在准静水压力条件下,利用激光加热DAC技术和显微Raman光谱原位测试技术,在0~35 GPa压力范围开展金红石的高温高压相变研究。在室温条件下,金红石结构TiO2于13.4 GPa开始转变成斜锆石相,于21 GPa时转变完全,并直到35 GPa时斜锆石相稳定存在。在压力分别为29.4和35.0 GPa时,用YAG激光器发出的波长为1.064 μm的红外激光束扫描加热样品,TiO2斜锆石高压相转变成另一Pbca结构高压相。卸压时,Pbca相于26.3 GPa时转变成斜锆石相。斜锆石相转变成Pbca相需要加热才能发生,而卸压时却在较小的压力区间即迅速转变完全,两相转变压力边界在28 GPa左右。进一步卸压,斜锆石相直到11 GPa仍稳定,在7.6 GPa时斜锆石相与α-PbO2相两相共存,5 GPa时完全转变成α-PbO2相,并直到常压该相以亚稳定态存在。 相似文献
4.
At low temperature TiSe2 undergoes a charge-density wave instability. Superconductivity is stabilized either by pressure or by Cu intercalation. We show that the pressure phase diagram of TiSe2 is well described by first-principles calculations. At pressures smaller than 4 GPa charge-density wave ordering occurs, in agreement with experiments. At larger pressures the disappearing of the charge-density wave is due to a stiffening of the short-range force constants and not to the variation of nesting with pressure. Finally, we show that the behavior of T(c) as a function of pressure is entirely determined by the electron-phonon interaction without need of invoking excitonic mechanisms. Our work demonstrates that phase diagrams with competing orders and a superconducting dome are also obtained in the framework of the electron-phonon interaction. 相似文献
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本工作用X射线粉末照相法研究了Fe-C-Sb合金中液态急冷获得的ε相在高压下的相变过程。实验结果表明,压力对ε相的稳定性及其相变过程都有显著影响。在4.7GPa压力下,ε相的稳定化温度提高到450℃左右,而后合金中开始出现在常压下未曾出现过的新的正交结构亚稳相。在上述压力下,当温度达到560℃时,该正交结构亚稳相开始转变成Fe3C;在800℃时,Fe3C分解成单质状态的石墨碳和γ-Fe,这时合金的相组成为:C,γ-Fe,Sb及另一未知相。
关键词: 相似文献
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《中国物理 B》2021,30(7):76401-076401
The three halogen solids(Cl_2, Br_2, and I_2) have the isostructural diatomic molecular phase I with a space group of Cmca at ambient pressure. At high pressure, they all go through an intermediate phase V with incommensurate structures before eventually dissociating into the monatomic phase II. However, a new structural transition between phase I and V with anomalous bond-length behavior was observed in bromine under pressure, which, so far, has not been confirmed in iodine and chlorine. Here, we perform first-principles calculations for iodine and chlorine. The new structural transition was predicted to be common to all three halogens under pressure. The transition pressures might be systematically underestimated by the imperfect van der Waals correction method, but they follow the order Cl_2 Br_2 I_2, which is consistent with other pressure-induced structural transitions such as metallization and the molecular-to-monatomic transition. 相似文献
10.
Kawasaki K Yoshida T Tarui M Nakagawa H Yano H Ishikawa O Hata T 《Physical review letters》2004,93(10):105301
We have investigated the transition phenomena of superfluid 3He in thin 0.8 microm slabs with a cw-NMR method. We found that, just below the phase-transition temperature, only the A phase appeared at any pressure. At lower temperatures, the phase transition to the B phase occurred between 0.3 and 2.74 MPa. We obtained a universal critical thickness delta as a function of pressure. When the reduced slab thickness, d/xi(T), is smaller than delta, only the A phase becomes stable. 相似文献
11.
We report here a systematic data analysis of the vapour pressure of argon at different amounts of the liquid phase to understand
the thermodynamic behaviour of this inert gas around triple point. At the triple point plateau, the applied heat pulse melts
a certain phase of solid argon into liquid and increases vapour pressure. It is observed that this vapour pressure attains
the thermodynamic equilibrium pressure after a certain time interval. The expoential decay of the vapour pressure as a function
of time at different fractions of the liquid phase shows two different features. In one region, the relexation time constant
(τ) is low and is not varying with the liquid phase, while in the other region the value ofτ increases with the amount of the liquid phase. Further, the peak pressure from the equilibrium pressure (ΔP
h), obtained from the fitting parameters, shows a dip at around 50% of the liquid phase. A qualitative physical interpretation
has been given to explain these results. 相似文献
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A. Polian J. P. Itié C. Jauberthie-carillon E. Dartyge A. Fontaine H. Tolentino 《高压研究》2013,33(1-6):309-311
Abstract The phase transitions of GaAs, GaP and Ge under pressure have been investigated by x-ray absorption spectroscopy (XAS). At the onset of the transition the Debye-Waller factor increases and the x-ray absorption near edge structure (XANES) is progressively modified. A mixing of the low and high pressure phase can be determined by XAS as well as amorphization of the sample on pressure release. 相似文献
13.
D. Martínez-García Ch. Ferrer-Roca Y. Le Godec P. Munsch J. P. Itié V. Muñoz-Sanjosé 《高压研究》2013,33(2):403-406
Energy dispersive X-ray diffraction using synchrotron radiation has been used to study phase transformations of Cd 0.8 Zn 0.2 Te under high pressure and temperature. We confirm the presence of a cinnabar phase between the zinc-blende and rock-salt phases. But contrary to the results in CdTe, this intermediate phase is found to be stable only on pressure decrease and in a narrower pressure and temperature range. Single-phase cinnabar patterns are obtained only at 300 and 373 K. At 673 K and above, even on pressure decrease, no evidence of the cinnabar phase is found. In this temperature range, a phase segregation phenomenon is observed in the zinc-blende phase during the zinc-blende transition in both upstroke and downstroke, and the retrieved sample at ambient conditions presents a double pattern corresponding to two different Zn contents. 相似文献
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采用基于密度泛函理论的第一性原理和准简谐晶格动力学方法对Ru的六角密排 (hcp)、面心立方 (fcc)、体心四方 (bct) 和体心立方 (bcc) 结构的磁性、晶格结构稳定性和高温高压下的相变进行了系统的研究. 计算获得了各相结构的磁性基态及其稳定性范围, 结果表明: 零温下在计算的压力范围内, NM-hcp 结构是Ru最稳定的结构, 压力的单独作用下并没有相变的发生; NM-fcc结构是Ru的亚稳定结构, 而NM-bcc和FM-bct结构在动力学上并不稳定. 高温高压下Ru将发生从NM-hcp到NM-fcc结构的相变, 并给出了Ru的温度压力相图.
关键词:
相变
晶格稳定性
磁性
第一性原理 相似文献
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We present an ab initio calculation of lattice dynamics and thermodynamic properties of SrO in the NaCl (B1) and CsCl (B2) structured phases under pressure. We employ the density-functional perturbation theory (DFPT) within the local density approximation (LDA) in conjunction with the quasi-harmonic approximation. At zero pressure, the calculated dispersions agree well with the measured ones for the B1 phase. A pressure-induced soft transverse acoustic (TA) phonon mode is identified at the zone boundary X point of the Brillouin zone. The B2 phase is stable at high pressure. Our analysis suggest that this soft transverse mode is responsible for the pressure induced structural phase transition. The increase of the electronic dielectric function with pressure is attributed to the closure of the p–d gaps. The thermal expansion coefficient decreases with pressure and does not show any negative behavior. The predicted transition pressure decreases with temperature. 相似文献
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Using the Raman technique we have studied the lattice vibrations of the prototype plastic crystal adamantane (C10H16). The measurements, as a function of temperature through the phase transition (208K), show splittings in certain lines. At room temperature using hydrostatic pressure, we also induced a phase transition. The transition is detected by Raman measurements, and we observe splittings of the very same vibrational lines. This indicates that the pressure induced phase transition yields the same crystal structure as the low temperature structure. Some analysis of the pressure and temperature derivatives of the vibrational modes is presented. 相似文献
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采用第一性原理研究了CdS的六方纤锌矿(WZ), 立方闪锌矿(ZB) 和岩盐矿(RS)相在高压条件下的相稳定性、 相变点、电子结构以及弹性性能.WZ相与RS 相可以在相应的压强范围内稳定存在, 而ZB相不能稳定存在.压强大于2.18 GPa时, WZ相向RS相发生金属化相变.WZ相中S原子电负性大于Cd, 且电负性差值小于1.7, CdS的WZ相为共价晶体.高压作用下, S原子半径被强烈压缩, 有效核电荷增加, 对层外电子吸引能力提高, 电负性急剧增大, 导致S与Cd的电负性差值大于1.7, CdS的RS相以离子晶体存在. WZ相的C44随压强增加呈下降趋势, 导致WZ相力学不稳定, 并向RS相转变.当压强大于2.18 GPa时, RS相C11, C12随压强增加而增大, 并且C44保持稳定, 说明RS相具有良好的高压稳定性与力学性能.
关键词:
第一性原理
相变
电子结构
弹性性质 相似文献
19.
The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied. 相似文献
20.
A. I. Orlov L. G. Khvostantsev E. L. Gromnitskaya O. V. Stal’gorova 《Journal of Experimental and Theoretical Physics》2001,93(2):393-396
The pressure dependences of the electrical resistance and thermal electromotive force of lithium were measured at room temperature. The results substantiated the occurrence of a phase transition caused by increasing pressure (6.7 GPa). A phase transition was detected when pressure was decreased (6.4 GPa). Temperature effects on the pressures of these transitions were studied near room temperature. At pressures above 4 GPa, the pressure dependences of thermal electromotive force and of the velocity of ultrasonic shear waves in BCC lithium exhibited anomalies. The suggestion was made that applying pressure increased the role played by electron-phonon and phonon-phonon interactions in lithium. 相似文献