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1.
Abstract By means of high-angle double-crystal X-ray diffractometry (HADOX), the thermal expansivity of KMnF3 has been determined. The linear thermal expansion coefficient along each crystallographic axis exhibits a divergent anomaly at the structural phase transition at 186 K. The critical exponents of these coefficients are determined: in the cubic phase α = 0.21 ± 3, and in the tetragonal phase α′ = 0.19 ± 3 for the a axis and α″ = 0.35 ± 3 for the c axis. In addition, the critical exponent of the spontaneous strain, c/a ? 1, is determined to be 0.4248 ± 8, which is smaller than that of the order parameter 2β = 0.5714 ± 12. These values are reasonable if the transition occurs in the vicinity of a tricritical point. 相似文献
2.
《Physica B+C》1988,147(2-3):259-266
Accurate lattice parameters a and c of the tetragonal chalcopyrite quaternary semiconductor CuGaSn□Se4 have been determined as a function of temperature by the X-ray powder diffraction method in the temperature range 300 K to about 900 K. The data have been used to evaluate the axial expansion coefficients αa and αc at various temperatures. The thermal expansion studies revealed the anisotropy between the axial expansion coefficients having a larger coefficient of expansion along the a-axis than that along the c-axis (αa > αc). The mean values αa and αc, in the temperature range 300–900 K, are found to be 14.02 × 10-6K-1 and 5.02 × 10-6K-1 respectively, and the axial ratio, c/a, changes with a coefficient of -8.96 × 10-6K-1. This result indicates an increase in the tetragonal distortion, δ = 2 - c/a with temperature. An attempt is made to explain the increase in tetragonal distortion with temperature and the anisotropic thermal expansion of CuGaSn□Se4 in terms of the thermal expansion of the A>−;Se (where A is Cu and Ga randomly distributed) and B>−;Se (where B is Sn and vacancy randomly distributed) bonds. The results are also discussed in terms of the principal Grüneisen parameters of chalcopyrite structure compounds. 相似文献
3.
Bagautdin Bagautdinov Zachery Shaw Andrii Orlov Marat A. Aliev 《Phase Transitions》2016,89(5):471-479
A rich sequence of structural modulations in Cs2HgCl4 as a function of temperature was studied by means of X-ray diffraction. Accurate satellite-position measurements on the cooling and heating paths of the crystal revealed abnormal thermal hystereses for incommensurate phases and coexistences of neighboring commensurate phases. A well-defined X-ray picture of the a-axis modulated phases in the range of 221–184 K were observed on the heating path, while the c-axis modulated phases existing below 184 K were definitely detected on the cooling path. The proper conditions for a precise phase diagram of Cs2HgCl4 can be correlated with relatively defect-free transformations of a-axis modulations at heating and of c-axis modulations at cooling. The peculiarity of Cs2HgCl4 to switch modulation direction among the a- and c-axes at 184 K allows us deliberately accumulate and thus control a majority of mobile defects on the mutually perpendicular (100) or (001) planes by possessing crystal within temperature domain of a- or c-axes modulations, respectively. 相似文献
4.
A. U. Sheleg E. M. Zub L. A. Stremoukhova A. M. Luginets 《Physics of the Solid State》1997,39(6):932-934
The lattice parameters a and c of β-BaB2O4 crystals have been measured in the temperature range 80–300 K by the x-ray diffraction method. The thermal expansion coefficients
α are calculated from the measured values of the parameters. A substantial anisotropy of the thermal expansion is found. It
is shown that the thermal expansion coefficient α
c along the c axis is an order of magnitude greater than the thermal expansion coefficient α
a in a plane perpendicular to this axis. It is established that α
a becomes negative in the temperature range 80–190 K.
Fiz. Tverd. Tela (St. Petersburg) 39, 1038–1040 (June 1997) 相似文献
5.
Z.W. Wang 《Journal of Physics and Chemistry of Solids》2011,72(5):457-459
SrMn2As2 single crystals were grown by the Sn flux method. Structural features of these crystals were characterized by means of X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The XRD results show that the single crystal has a rhombohedral structure and grows along the c-axis direction. The microstructure and layered structural features of this material have been examined by SEM and high-resolution TEM observations. The measurements of in-plane resistivity as a function of temperature demonstrate that SrMn2As2 undergoes a phase transition of semiconductor-insulator at a low temperature; the active energies are estimated to be Δ=0.64 and 0.29 eV for two distinct regions. Magnetic measurements show a clear antiferromagnetic (AFM) transition at about TN=125 K. Therefore, the SrMn2As2 material is an AFM insulator at low temperatures and could be a potential parent compound for superconductors. 相似文献
6.
C.J. Hearn 《Solid State Communications》1973,13(8):1139-1141
The large coefficient of thermal expansion parallel to the c-axis in the rutile phase of VO2 is explained using the phonon-softening model of the metal-insulator transition. 相似文献
7.
S K MISHRA R MITTAL P S R KRISHNA P U SASTRY S L CHAPLOT P D BABU S MATSUISHI H HOSONO 《Pramana》2016,86(6):1369-1381
The thermal expansibilities and phase stabilities of AFe 2As 2 (A = Ca, Sr and Eu) have been investigated by powder diffraction techniques in the temperature range 5–600 K. We found the anisotropic thermal expansivities with temperature for all the compounds. The lattice parameter in the tetragonal phase ( AT) of CaFe 2As 2 contracts with increasing temperature, whereas CT expands. The rate of contraction in AT is lower than the rate of expansion in CT. Other compounds show normal thermal expansion behaviour along both a- and c-axes. In-plane expansion (i.e., along the a-axis) is found to be the smallest for EuFe 2As 2 and the highest for BaFe 2As 2. However, the rate of change of thermal expansivities along out-of-plane (i.e., along the c-axis) is higher as we go from Ba, Sr, Eu and Ca, respectively. Above 600 K, we notice the appearance /disappearance of certain reflections which suggest that tetragonal phase is not stable above this temperature for these compounds. 相似文献
8.
The thermal conductivity (κ) of single crystals of tetragonal uniaxial antiferromagnets USb2 (T N = 202 K) and UBi2 (T N = 180.8 K) has been measured along the a-axis (κa ) over the temperature range from 0.5 to 300 K and along the c-axis (κc ) from 0.5 to 70 K. The as-grown samples have residual resistivity ratio (RRR) values of about 500–600 and 100–150 for UBi2 and USb2, respectively. The anisotropy of the thermal conductivity (κa (T)/κc (T) ~ 5) and the low-T Lorenz ratios are discussed in relation to Fermi surface topology for both compounds. 相似文献
9.
MR Eskildsen AB Abrahamsen PL Gammel DJ Bishop NH Andersen K Mortensen PC Canfield 《Pramana》2002,58(5-6):903-905
We compare the results of small angle neutron scattering on the flux line lattice (FLL) obtained in the borocarbide superconductor
LuNi2B2C with the applied field along the c- and a-axes. For H‖c the temperature dependence of the FLL structural phase transition from square to hexagonal symmetry was investigated. Above
10 K the transition onset field. H
2(T), rises sharply, bending away from H
c2(T) in contradiction to theoretical predictions of the two merging. For H‖a a first order FLL reorientation transition is observed at H
tr=3–3.5 kOe. Below H
tr the FLL nearest neighbor direction is parallel to the b-axis, and above H
tr to the c-axis. This transition cannot be explained using nonlocal corrections to the London model. 相似文献
10.
A. Bouhemadou 《哲学杂志》2013,93(12):1623-1638
The structural, elastic, electronic and thermal properties of M2SbP (M = Ti, Zr and Hf) were studied by means of a pseudo-potential plane-wave method based on the density functional theory within both the local density approximation and the generalised gradient approximation. The optimised zero-pressure geometrical parameters, i.e. the two unit cell lengths (a, c) and the internal coordinate (z), were in good agreement with available experimental and theoretical data. The effect of high pressure, up to 20 GPa, on the lattice constants shows that the contractions along the a-axis were higher than along c-axis. The anisotropic independent elastic constants were calculated using the static finite strain technique. Numerical estimations of the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, average sound velocity and Debye temperature for ideal polycrystalline M2SbP aggregates were performed in the framework of the Voigt–Reuss–Hill approximation. The calculated band structures show that all studied materials are electrical conductors. Analysis of the atomic site projected densities showed that the bonding is of covalent–ionic nature with the presence of metallic character. The density of states at the Fermi level is dictated by the transition metal d–d bands; the Sb element has little effect. Thermal effects on some macroscopic properties of M2SbP were predicted using the quasi-harmonic Debye model, in which the lattice vibrations are taken into account. The variations of the volume expansion coefficient, heat capacity and Debye temperature with pressure and temperature in the ranges 0–50 GPa and 0–2000 K were obtained successfully. 相似文献
11.
《Journal of Physics and Chemistry of Solids》2003,64(9-10):1895-1899
Large-block (8×4×3 mm3) CuGa5Se8 crystals were obtained by the horizontal Bridgman method. Homogeneous CuGa3Se5 and CuIn3Se5 single crystals 12 mm in diameter and up to 40 mm in length were grown by directed crystallization of the melt. All three compounds were found to have the chalcopyrite-related structure. The melting points of these compounds were defined by means of the differential thermal analysis. The lattice parameters a and c as well as the axial thermal expansion coefficients αa and αc were determined as a function of temperature in the range from 90 to 650 K by the X-ray diffraction method. It is revealed that for all three compounds the coefficients of expansion along the a-axis are larger than those along the c-axis over the entire temperature range studied. 相似文献
12.
Pavel Svoboda Pavel Javorský Fuminori Honda Vladimír Sechovský Alois A. Menovsky 《Central European Journal of Physics》2004,2(2):397-418
The tetragonal compound UNi2Si2 exhibits in zero magnetic field three different antiferromagnetic phases belowT
N
=124 K. They are formed by ferromagnetic basal planes, which are antiferromagnetically coupled along thec-axis with the propagation vectorq=(0, 0, q
z
). Two additional order-order magnetic phase transitions are observed below T
N
, namely atT
1=108 K and T
2=40 K in zero magnetic field. All three phases exhibit strong uniaxial anisotropy confining the U moments to a direction parallel
to the c-axis. UNi2Si2 single crystals were studied in detail by measuring bulk thermodynamic properties, such as thermal expansion, resistivity,
susceptibility, and specific heat. A microscopic study using neutron diffraction was performed in magnetic fields up to 14.5
T parallel to the c-axis, and a complex magnetic phase diagram has been determined. Here, we present the analysis of specific-heat data measured
in magnetic fields up to 14 T compared with the results of the neutron-diffraction study and with other thermodynamic properties
of UNi2Si2. 相似文献
13.
Jianzhe Wu Dongbin Hou C.E. Whiteley Yanzhang Ma 《Journal of Physics and Chemistry of Solids》2011,72(2):144-146
The high pressure properties of icosahedral boron arsenide (B12As2) were studied by in situ X-ray diffraction measurements at pressures up to 25.5 GPa at room temperature. B12As2 retains its rhombohedral structure; no phase transition was observed in the pressure range. The bulk modulus was determined to be 216 GPa with the pressure derivative 2.2. Anisotropy was observed in the compressibility of B12As2—c-axis was 16.2% more compressible than a-axis. The boron icosahedron plays a dominant role in the compressibility of boron-rich compounds. 相似文献
14.
Alexander S. Bulatov Viktor F. Dolzenko Anatoli V. Kornietz 《Czechoslovak Journal of Physics》1996,46(Z4):2119-2120
Information on the character of the temperature relationships of linear expansion coefficients (αa, αc) and exchange magnetostrictions (λa, λa) of single crystal Ho and Dy, based on temperature dependence of thec- anda-axis lattice constants, were accurately determined by X-ray diffraction from 4,2 to 300 K. In the helical phases we observed
a large anisotropy of expansion coefficients (αa>0, αc<0) and their variations at 24,5, 45 and 96 in Ho and 156 K in Dy. These anomalies were caused by the commensurate transitions.
The Curie transition in Ho is found to be of the 1-st order. 相似文献
15.
By neutron diffraction and susceptibility measurements the crystallographic and magnetic structures of (CH3NH3)2MnCl4 and (CD3ND3)2MnCl4 have been investigated. These compounds belong to a system of quasi two-dimensional Heisenberg antiferromagnets. At 96K a structural first order phase transition from the tetragonal high-temperature structure to an orthorhombic low-temperature structure was found. A magnetic phase transition from a two-dimensional antiferromagnetic preorder to a three-dimensional magnetic order occurs at 44.5K. The three-dimensional magnetic structure is characterized by antiferromagnetic (MnCl4)2- — layers perpendicular to the c-axis, with a ferromagnetic coupling between interacting next nearest (MnCl4)2- layers. The magnetic moments of the Mn-ions lie in the antiferromagnetic planes. 相似文献
16.
ABSTRACTThe effects of pressure and temperature on the lattice constants and thermal expansion coefficients of Indium were studied up to 18.6?GPa and 506?K based on in situ X-ray diffraction method with an externally heated diamond anvil cell. The results show that the measured axial ratio (c/a) decreases with increasing temperature and its temperature dependence decreases with increasing pressure. The thermal expansion coefficient of the a-axis decreases with increasing pressure up to 7?GPa and remains almost constant above 7?GPa, whereas that of the c-axis increases monotonously with pressure and changes from negative to positive at around 7?GPa. The observed behavior suggests that temperature reduces the tetragonal distortion on the lattice, and its effect is dominant below 7?GPa; in contrast, pressure enhances lattice distortion, and tends to have a stronger effect above 7?GPa. 相似文献
17.
18.
V. P. D’yakonov V. I. Markovich V. L. Kovarskii A. V. Markovich M. Borowiec A. Jedrzejczak H. Szymczak 《Physics of the Solid State》1998,40(4):691-698
The low-temperature thermal and magnetic-resonance properties of a monoclinic KDy(WO4)2 single crystal are investigated. It is established that a structural phase transition takes place at T
c=6.38 K. The field dependence of the critical temperature is determined for a magnetic field oriented along the crystallographic
a and c axes. The initial part of the H-T phase diagram is plotted for H∥a. The prominent features of the structural phase transition are typical of a second-order Jahn-Teller transition, which is
not accompanied by any change in the symmetry of the crystal lattice in the low-temperature phase. The behavior of C(T) in a magnetic field shows that the transition goes to an antiferrodistortion phase. An anomalous increase in the relaxation
time (by almost an order of magnitude) following a thermal pulse is observed at T>T
c(H), owing to the structural instability of the lattice. A theoretical model is proposed for the structural phase transition
in a magnetic field, and the magnetic-field dependence of T
c is investigated for various directions of the field.
Fiz. Tverd. Tela (St. Petersburg) 40, 750–758 (April 1998) 相似文献
19.
Magnetometric and neutron diffraction studies of polycrystalline NdCo2GE2, ErCo2Ge2 and PrFe2Ge2 compounds were carried out in the temperature range between 4.2 and 300 K. All samples are antiferromagnetic with Néel temperature 26.5, ~ 4.2 and 13 K, respectively. The RECo2Ge2 compounds have collinear antiferromagnetic order of +?+? type. For PrFe2Ge2 a sinusoidal magnetic structure is observed. Magnetic moment is localized on RE atoms only and is equal to that of RE3+ free ion value. In ErCo2Ge2 the magnetic moment of Er atoms is perpendicular to the c-axis, whereas for remaining compounds it is parallel to the c-axis. 相似文献
20.
J.-E.?J?rgensen T. C.?Hansen 《The European Physical Journal B - Condensed Matter and Complex Systems》2010,78(4):411-415
The crystal structure of BaFe2As2 was studied
by high-pressure neutron powder diffraction in the pressure range from
ambient to 6.5 GPa as well as in the temperature range from 12 K to 293 K at
4.4 GPa and no pressure or temperature induced phase changes were observed.
The compression mechanism of BaFe2As2 was found to be anisotropic
as the a- and c-axes are reduced by 2.49 and 3.66%, respectively at 6.5
GPa. Within the FeAs layers the Fe-As and Fe-Fe bonds decrease by 2.49 and
3.66%, respectively. The Ba-As distance decreases by 3.70% while the
As-As inter-atomic distance along the c-axis exhibits a complex pressure
dependence. The bulk modulus B
0 and its pressure derivative B
0' were
determined to be B
0 = 59(2) GPa and B
0' = 6.1(7) at ambient
temperature. 相似文献