Combined experimental and theoretical investigation of the premartensitic transition in Ni2MnGa

Ultraviolet-photoemission (UPS) measurements and supporting specific-heat, thermal-expansion, resistivity, and magnetic-moment measurements are reported for the magnetic shape-memory alloy Ni2MnGa over the temperature range 100T(PM) is due to the Ni d minority-spin electrons. Below T(M) this peak disappears, resulting in an enhanced density of states at energies around 0.8 eV. This enhancement reflects Ni d and Mn d electronic contributions to the majority-spin density of states.     

Influence of neutron irradiation on the martensitic transformations and shape-memory effect in a TiNi alloy

The paper reports measurements of the strains and electrical resistance of a TiNi shape-memory alloy under irradiation in the low-temperature helium circuit of a nuclear reactor. Irradiation of the alloy in martensitic state at 170 K revealed that the transition temperatures from cubic to rhombohedral and from rhombohedral to monoclinic phase decrease exponentially with increasing dose. No change in the shape-memory effects and transformation plasticity was observed up to a dose of 6.7×10²² n/m². Keeping the sample at 340 K without irradiation restores (increases) partially the transition temperatures. The relations observed can be assigned to a change in the degree of long-range order in the lattice caused by neutron irradiation. Fiz. Tverd. Tela (St. Petersburg) 40, 1705–1709 (September 1998)     

Electrical transport properties of CuS single crystals

Electrical resistivity, transverse magnetoresistance and thermoelectric power measurements were performed on CuS high quality single crystals in the range 1.2-300 K and under fields of up to 16 T. The zero field resistivity data are well described below 55 K by a quasi-2D model, consistent with a carrier confinement at lower temperatures, before the transition to the superconducting state. The transverse magnetoresistance develops mainly below 30 K and attains values as large as 470% for a 16 T field at 5 K, this behaviour being ascribed to a band effect mechanism, with a possible magnetic field induced DOS change at the Fermi level. The transverse magnetoresistance shows no signs of saturation, following a power law with field Δρ/ρ(0) ∝ H(1.4), suggesting the existence of open orbits for carriers at the Fermi surface. The thermoelectric power shows an unusual temperature dependence, probably as a result of the complex band structure of CuS.     

EuMo_6S_8的超导性、电荷密度波和磁性间的相互影响

我们已观察到在120K时Eu_(1.2)Mo_6S_8的热容量、电阻及霍尔系数的反常规象,并确定为一种马氏体结构的相变特征;这种马氏体结构相变产生于一种模糊的电荷密度波的转变,后者在部分费米面上造成能隙。 费米面出现部分能隙说明了在常压下直10mK不出现超导的原因。高压抑制了电荷密度波的转变。从费米面上状态的超导性和这种转变相互竞争出发,计算得到的超导转变温度对压力的依赖性,与实验结果非常一致。在低温时,临界场随温度的变化非常强烈,这种变化已用Jaccarino-Peter补偿效应进行了解释。在高压时与理论的预言比较,EuMo_6S_8的临界场非常高,至少与现有任何的超导体一样高。压力为14Kbar、温度低于2K时在10T到15T范围内已观察到低场下电阻态到超导态的转变,这就是称之为场诱导超导性的一种新效应。     

Magnetic susceptibility of NbSe3 and TaSe3

The magnetic susceptibility of NbSe₃ shows a decrease beginning slightly above its upper charge density wave transition (CDW) of 144 K, but no change within our resolution near the 59 K transition. The change in the density of states at the Fermi level due to the upper transition is 0.14 states-eV/Nb. TaSe₃ on the other hand has a temperature independent susceptibility. In some cases the trichalcogenides are contaminated with their corresponding dichalcogenide. Such contamination can be observed by susceptibility measurements in the case of 2HTaSe₂ but not of 2HNbSe₂. We also report an anomaly in the susceptibility of 4HaNbSe₂, which suggests a CDW transition at 45 K.     

Temperature-induced metamagnetic transition in ErCo3: influence of Fe and Ni substitutions for Co

The phenomenon of a temperature-induced itinerant metamagnetism in ErCo₃ (at 65 K) was investigated with respect to small substitutions of Fe and Ni for Co. Five percent of Fe or Ni substitutions change the transition temperature to 170 or 25 K, respectively. The transition is accompanied by a large magneto-volume effect, ΔV/V reaches ∼0.5%, which allowed to relate the thermal expansion data with the magnetic state of the d-electrons. The change of the magnetic characteristics with substitutions is mainly ascribed to the shift of the position of the Fermi level in the hybridised d-electron energy band.     

Concerning the first-order phase transition in the low-dimensional organic superconductor (BEDO—TTF)2ReO4 · H2O. Crystal and electronic band structures below the phase transition (T = 170 K)

The effect of the first-order phase transition occurring around 220 K on the crystal and electronic structure of the molecular superconductor (BEDO-TTF) has been studied. The crystal structure at 170 K has been determined and it is found that the main structural change resulting from the phase transition is connected with a rotation of the anions. This rotation leads to changes in the SS and SO intermolecular contacts within the BEDO-TTF donor layers. How these structural changes affect the electronic structure of the salt is studied by comparing the transfer integrals for the different donordonor intermolecular interactions calculated for the room temperature and 170 K crystal structures. It is shown that Fermi surfaces for the 170 K and room temperature structures are very similar, do not exhibit nesting properties, and can be described as resulting from the hybridization of superposing ellipses. Received: 4 September 1997 / Received in final form: 2 December 1997 / Accepted: 3 December 1997     

Localization of the Fe°-level in silicon

Silicon samples were quenched from 1250°C – 1300°C and the 95K Fermi level was calculated from Hall effect data. The same samples were used to determine the intensity of the EPR spectrum at 95K associated with the iron interstitial (Fe°). In carefully selected samples, complete or partial overlapping of temperature dependent Hall measurements and EPR spectra could be accomplished. By relating Fermi levels to the corresponding EPR signals it was found that the transition Fe° → Fe⁺ in silicon introduces a level located at E_v+0, 375eV.     

Electrical properties of nanocrystalline magnetite with large non-stoichiometry, near Verwey transition

DC electrical measurements were carried out on compacted powders of magnetite with an average particle diameter of 50 nm over the temperature range 10-300 K. The non-stoichiometry was estimated from Mossbauer spectroscopy analysis. High-resolution X-ray diffraction studies in the temperature range 93-300 K did not show any phase transition. There was a drastic change in resistivity around 80 K but no discontinuity thereof. Electrical resistivity vs. temperature data were analysed on the basis of Mott's small polaron and variable-range hopping models, respectively. The Verwey temperature as estimated from this analysis was 93 K. From voltage-current characteristics it was concluded that there was a small intrinsic gap at the Fermi level above the transition temperature and the same increased drastically below the transition temperature. This was ascribed to a transition from short-range order to long-range order as the temperature was lowered.     

NiTi形状记忆合金马氏体相变的第一性原理研究

为了理解NiTi形状记忆合金马氏体相变的机理，基于密度泛函的第一性原理研究了温度和应力对电子结构的稳定性的影响.通过对态密度的分析，发现随着温度的降低和变形的增加，B2相的态密度升高，能级兼并性提高，从而导致结构的稳定性降低，促进相变的发生. 关键词： NiTi 电子结构 第一性原理计算 相变     

Phase transition and critical behavior of spin–orbital coupled spinel ZnV_2O_4

We present the temperature-dependent susceptibility and specific heat measurement of spinel ZnV_2O_4.The structural transition with orbital ordering and the antiferromagnetic transition with spin ordering were observed at 50 K and 37 K,respectively.By analysis of the hysteresis behavior between the specific heat curves obtained in warming and cooling processes,the structural transition was confirmed to be the first-order transition,while the antiferromagnetic transition was found to be of the second-order type.At the structural transition,the latent heat and entropy change were calculated from the excess specific heat,and the derivative of pressure with respect to temperature was obtained using the Clausius-Clapayron equation.At the magnetic transition,the width of the critical fluctuation region was obtained to be about 0.5 K by comparing with Gaussian fluctuations.In the critical region,the critical behavior was analyzed by using renormalization-group theory.The critical amplitude ratio A~+/A~- = 1.46,which deviates from the 3D Heisenburg model;while the critical exponent α is-0.011,which is close to the 3D XY model.We proposed that these abnormal critical behaviors can be attributed to strong spin-orbital coupling accompanied with the antiferromagnetic transition.Moreover,in the low temperature range(2-5 K),the Fermi energy,the density of states near the Fermi surface,and the low limit of Debye temperature were estimated to be2.42 eV,2.48 eV~(-1),and 240 K,respectively.     

Anisotropy in the magnetic susceptibility of 2H-TaSe2

The magnetic susceptibility of 2H-TaSe₂ is temperature dependent and anisotropic. The susceptibility with H parallel to the c axis is approximately 2.5 times that perpendicular. The decrease in susceptibility below the charge density wave transition at 122 K is also anisotropic with [χ₆(122 K) ? χ₆(4.2 K]?[χ_⊥(122 K) ? χ_⊥(4.2 K)] ≈ 4. Consequently, this change cannot be simply interpreted as a change in the density of states at the Fermi level, unless very anisotropic electron g values are assumed.     

Observation of a strongly nested Fermi surface in the shape-memory alloy Ni0.62Al0.38

The Fermi surface topology of the shape-memory alloy Ni0.62Al0.38 has been determined using Compton scattering. A large area of this Fermi surface can be made to nest with other areas by translation through a vector of approximately 0.18[1,1,0](2pi/a), which corresponds to the wave vector associated with martensitic precursor phenomena such as phonon softening and diffuse streaking in electron diffraction patterns. This observation is compelling evidence that these phenomena are driven by the enhanced electron-lattice coupling due to the Fermi surface nesting.     

Fermi surface nesting and structural transition on a metal surface: In /Cu(001)

Peierls-type instability and structural phase transition are shown to occur on the surface of a normal metal. An In overlayer on Cu(001) undergoes a reversible transition at approximately 350 K. Scanning tunneling microscopy of the low-temperature, reduced-symmetry phase indicates a strong periodic lattice distortion (PLD). Angle-resolved photoemission of the high-temperature phase reveals that the In-derived surface resonance constitutes a square-shaped, quasi-two-dimensional Fermi surface within the projected bulk Cu bands. The Fermi surface exhibits one-dimensional nesting upon the transition, which is in agreement with the PLD periodicity.     

Martensitic structure of a Cu-Al-Ni alloy after a single cyclic change in the temperature and the action of reactive stresses

The martensitic transformations in a Cu-13.4 wt % Al-4.0 wt % Ni alloy subjected to a single cyclic change in the temperature in the range 293–680 K under conditions of constrained shape-memory deformation are studied by differential scanning calorimetry. These martensitic transformations are found to be closely related to the temperature dependences of the reactive stresses generated in constrained alloy samples during a single heating-cooling cycle. The substantial change in the behavior of these dependences during heating to a temperature above 600 K is caused by the strong effect of the decomposition of the β-phase solid solution on the parameters of the martensitic transformations in this alloy.     

Metal-to-semimetal transition in supercooled liquid silicon

Computer simulations, using the Stillinger-Weber potential, have previously been employed to demonstrate a liquid-liquid transition in supercooled silicon near 1060 K. From calculations of electronic structure using an empirical psuedopotential, we show that silicon undergoes an associated metal to semimetal transition with a resistivity jump of roughly 1 order of magnitude. We show that the electronic states near the Fermi energy become localized in the low temperature phase, and that changes in electronic structure between the two phases arise from a change in atomic structure, and not from a change in density.     

Impurity state electroabsorption studies in oxygen-doped GaAs

Electroabsorption measurements at 300 K made within the band gap on high resistivity GaAs:O are reported. For a crystal with the Fermi level at 0.54 eV, major structure has been detected at 0.52, 0.57, 0.67, 0.75, 0.87, 0.93, 1.03, 1.12, 1.25, 1.36, and 1.39 eV. The 0.67 eV peak appears only in the second harmonic spectrum, indicating no change in permanent dipole for this transition. Polarized light, lock-in amplifier phase angle, and applied field variation data are presented.     

Pseudoelastic deformation and generation of reactive stresses in a Cu-Al-Ni shape-memory alloy in the temperature range 4.2–293 K

Pseudoelastic deformation and the magnitude of reactive stresses in Cu-14.2% Al-4.5% Ni shape-memory alloy single crystals were studied experimentally in the temperature range 4.2–293 K. It is established that pseudoelasticity and the shape-memory effect are observed in this alloy over the entire temperature range indicated above. It is found that, as the constrained samples are heated at a constant rate from liquid-helium temperature, the reactive stresses increase continuously at temperatures of up to 100 K and then remain constant. When the temperature of preliminary deformation is 77 K, the generation of reactive stresses with an increase in temperature occurs by two stages, which agrees with the multistage behavior of the pseudoelastic-deformation curves of this alloy above the liquid-nitrogen boiling temperature. Using the theory of diffuse martensitic transitions, a quantitative calculation is performed of pseudoelastic-deformation curves and reactive-stress curves over the temperature range 4.2–293 K under conditions of two-stage behavior of the martensitic transformation.     

Multiple first-order metamagnetic transitions and quantum oscillations in ultrapure Sr3Ru2O7

We present measurements on ultraclean single crystals of the bilayered ruthenate metal Sr3Ru2O7, which has a magnetic-field-tuned quantum critical point. Quantum oscillations of differing frequencies can be seen in the resistivity both below and above its metamagnetic transition. This frequency shift corresponds to a small change in the Fermi surface volume that is qualitatively consistent with the small moment change in the magnetization across the metamagnetic transition. Very near the metamagnetic field, unusual behavior is seen. There is a strong enhancement of the resistivity in a narrow field window, with a minimum in the resistivity as a function of temperature below 1 K that becomes more pronounced as the disorder level decreases. The region of anomalous behavior is bounded at low temperatures by two first-order phase transitions. The implications of the results are discussed.