Heat capacity of La1−x SrxMnO3 single crystals in different magnetic states

The heat capacity of three single-crystal samples of La_1?x Sr_xMnO₃ (x=0, 0.2, and 0.3) is measured in the temperature range 4–400 K. It is found that the heat capacity undergoes abrupt changes due to the transitions from the antiferromagnetic phase to the paramagnetic phase (x=0) and from the ferromagnetic phase to the paramagnetic phase (x=0.2 and 0.3). The phonon contribution to the heat capacity and the Debye characteristic temperatures for the La_0.7Sr_0.3MnO₃ sample are determined over a wide range of temperatures. The electronic density of states at the Fermi level is evaluated. It is demonstrated that an increase in the strontium concentration x brings about an increase in the electronic density of states at the Fermi level. The contributions of spin waves to the heat capacity and the entropy are estimated under the assumption that the phonon spectrum remains unchanged upon doping with Sr.     

Dopings in the transition-metal aluminides OsAl2 to obtain materials with high spin polarization: A first-principles study

The doping effects of 3d transition metals on the magnetic properties of Os_1 − xCr_xAl₂ are studied by first-principles calculations. The Os_1 − xCr_xAl₂ alloys have high spin-polarizations at the Fermi level with the Cr concentration in the range of 0.0<x?0.625. At higher Cr concentration, the ferromagnetic phase transforms into a ferrimagnetic metallic phase.     

Superconducting transition parameters in aluminum-lithium alloys (0-10 at.% Li)

The superconducting transition temperatures T_c of face-centered cubic Al_1−x-Li_x alloys (x=0-0.10) exhibit a minimum near x=0.03 (3 at.% Li). The McMillan strong-coupling T_c equation yields a similar trend of the electron-phonon coupling constant λ. Meanwhile, the density of states at the Fermi level N(0) decreases monotonically with increasing x. It appears that T_c drops initially due to a reduced N(0), which is then overtaken by alloying-enhanced factors of phonon or electron-phonon interaction.     

DC and AC conductivities of (As2S3)100−x(AsSe0.5Te0.5I)x chalcogenide glasses

The DC and AC conductivities of samples from the system (As₂S₃)_100−x(AsSe_0.5Te_0.5I)_x, where x=0, 5, 10, 15, 20, 25, 30, 35, 50, 70 and 90 mol%, were measured as a function of temperature. Besides, the AC conductivities of the samples with x=10 and 30 were measured as a function of frequency from room temperature to the glass transition temperature. The DC conductivity dependence on temperature is of the Arrhenius type, whereas the value of the pre-exponential factor suggests the electrical conduction by localized states in the band tails and by localized states near the Fermi level. The small values of the conduction activation energy (10⁻²-10⁻¹ eV) obtained at higher frequencies suggest that the conduction in these materials is due to hopping of charge carriers between close defect states near the Fermi level.     

Behavior of Fermi systems approaching the fermion condensation quantum phase transition from the disordered phase

The behavior of Fermi systems that approach the fermion condensation quantum phase transition (FCQPT) from the disordered phase is considered. We show that the quasiparticle effective mass M* diverges as M* ∝ 1/¦x?x_FC¦, where x is the system density and x_FC is the critical point at which FCQPT occurs. Such behavior is of general form and takes place in both three-dimensional (3D) and two-dimensional (2D) systems. Since the effective mass M* is finite, the system exhibits the Landau Fermi liquid behavior. At ¦x? x_FC¦/x_FC?1, the behavior can be viewed as highly correlated, because the effective mass is large and strongly depends on the density. In the case of electronic systems, the Wiedemann-Franz law is valid and the Kadowaki-Woods ratio is preserved. Beyond the region ¦x–x_FC¦/x_FC?1, the effective mass is approximately constant and the system becomes a conventional Landau Fermi liquid.     

Room and high-temperature scanning tunnelling microscopy and spectroscopy (HT-STM/STS) investigations of surface nanomodifications created on the TiO2(1 1 0) surface

High-temperature scanning tunnelling microscopy, scanning tunnelling spectroscopy and current imaging tunnelling spectroscopy (HT-STM/STS/CITS) were used to study the topographic and electronic structures changes due to surface modifications of the TiO₂(1 1 0) surface caused by the STM tip. In situ high-temperature STM results showed that the created modifications were stable even at elevated temperatures. The STS/CITS results showed the presence of energy gap below the Fermi level on the untreated regions. The disappearance of energy gap below the Fermi level on the modifications created by the tip was observed. It is assumed that the presence of the tip can change the chemical stoichiometry of the surface from TiO_2−x towards Ti₂O₃.     

Pressure-induced change of the Fermi surface topology in Al-based solid solutions

An ab initio study of the electronic structure and the Fermi surface is carried out for random Al-Si and Al-Ge solid solutions. At a 10 at. % Si content, a topological transition of the neck-formation type is revealed, which can account for the experimentally observed peculiarities of the transport properties of the Al-Si system. A similar transition is also found in the Al-Ge system, and the appearance of the anomalous transport coefficients at Ge concentrations of about 10 at. % is predicted. In addition, it is shown that the increase in the concentration of the dopants gives rise to nesting of the Fermi surface sheets (superposition of electron-hole pockets). This peculiarity of the Fermi surface can be responsible for the enhancement of the superconductivity and the instability of the crystal structure observed in the Al_1?xSi_x and Al_1?xGe_x solid solutions.     

Thermopower of CeNi5 with strong f-electron instability: Band effects

Numerical calculations of the thermopower component S _d that is associated with the fine structure of the density of d states near the Fermi level are carried out for CeNi₅ and its La analog. The estimates, together with earlier experimental data on the transport coefficients in Ce(M _xNi_1?x )₅ solid solutions with M=Ga, Cu (0≤x≤0.4)), are used to analyze the behavior of the thermopower component S _f originating from the Ce valence instability. It is shown that as Ce crosses over from the state of its usual intermediate valence to the saturated-valence state, the feature near the Fermi energy, which represents a Lorentzian-shaped peak of the density of f states, transforms to a double-humped structure. The possibility of formation of a strongly correlated band of f states in Ce(M _xNi_1?x )₅ in the crossover to the Ce saturated-valence state, accompanied by the opening of a quasi-gap Δ ～ 400 K, is discussed.     

Magnetic properties of CuRh alloys

By means of rapid quenching techniques single phased samples of Cu_xRh_1?x(0?x?1) were obtained. For these alloys the Knight shift of ⁶³Cu and ¹⁰³Rh has been determined employing pulsed NMR at low temperatures, furthermore the magnetic susceptibility was measured for temperatures between 4.2 and 300 K. While the Knight shift of ¹⁰³Rh is dominated by s-electron contributions in spite of a high density of d-states at the Fermi level, for the susceptibility, however, the d-electron contributions prevail. In addition the susceptibility shows a pronounced maximum at about 10 at.% Cu. Using the extrapolated Knight shift of copper (x→0) we estimate a net copper hyperfine field of — 15 T in close agreement with the corresponding values for CuPd and CuPt.     

Magnetotransport, optical, and electronic subband properties in AlxGa1−xN/AlN/GaN heterostructures

The Shubnikov-de Haas (S-dH) results at 1.5 K for Al_xGa_1−xN/AlN/GaN heterostructures and the fast Fourier transformation data for the S-dH data indicated the occupation by a two-dimensional electron gas (2DEG) of one subband in the GaN active layer. Photoluminescence (PL) spectra showed a broad PL emission about 30 meV below the GaN exciton emission peak at 3.474 eV that could be attributed to recombination between the 2DEG occupying in the AlN/GaN heterointerface and photoexcited holes. A possible subband structure was calculated by a self-consistent method taking into account the spontaneous and piezoelectric polarizations, and one subband was occupied by 2DEG below the Fermi level, which was in reasonable agreement with the S-dH results. These results can help improve understanding of magnetotransport, optical, and electronic subband properties in Al_xGa_1−xAs/AlN/GaN heterostructures.     

Room-temperature ferromagnetism in Dy films doped with Ni

Temperature, magnetic field and spectral dependences of magneto-optical effects (MOEs) in bi-layer films Dy_(1−x)Ni_x-Ni and Dy_(1−x)(NiFe)_x-NiFe were investigated, x changes from 0 to 0.06. Peculiar behavior of the MOEs was revealed at temperatures essentially exceeding the Curie temperature of bulk Dy which is explained by the magnetic ordering of the Dy layer containing Ni under the action of two factors: Ni impurities distributed homogeneously over the whole Dy layer and atomic contact of this layer with continues Ni layer. The mechanism of the magnetic ordering is suggested to be associated with the change of the density of states of the alloy Dy_(1−x)Ni_x owing to hybridization with narrow peaks near the Fermi level character for Ni.     

Co doping effects on structural, electronic and magnetic properties in Mn2VGa

The electronic structure and magnetic properties of Co-doped Heusler alloys (Mn_1−xCo_x)₂ VGa (x=0.0, 0.25, 0.5, 0.75, 1.0) have been studied by first-principles calculations. The results show that the lattice constants decrease with increasing Co content except x=1.0. The spin polarization for x=0.5 is only 34%, much lower than the other concentrations. The compounds of x=0.0, 0.25 show nearly half-metallicity because the Fermi level slightly touches the valence bands. And the compounds of x=0.75, 1.0 exhibit the half-metallic character with 100% spin polarization. It is found the local moments of Mn(Co) basically show a linear increasing trend while the moments of V show a linear decreasing trend with increasing doping concentration. However, the local moments for x=0.5 quite depart from the linear trend. The majority-spin component at the Fermi level increases while the minority-spin component at the Fermi level decreases with the substitution of Co atoms for Mn atoms when x≤0.75. For x≥0.75, the majority-spin component remains more or less the same and the gap in the minority DOS increases with Co doping. The majority spin states are shifted to valence bands and the majority spin states around E_F increase due to a leakage of charge from the unoccupied spin-up states to the occupied majority states with increasing Co content.     

Tuning Fermi level within half-metallic gap in Co-based Heusler alloys

We systematically study the tuning of Fermi level in half-metal gap for Co-based full-Heusler alloys in the frame of first-principles calculations. It is found that the position of the Fermi level within whole gap can be specified in compounds Co₂MnZ _1?x ¹ Z _x ² (Z¹ and Z² are the III, IV or V main group element). As one of examples, Co₂MnAl doped by As is further explored in detail, of which the Fermi level falls into the expectative position of the minority spin gap at proper concentration of As doping (0.5 < x < 0.75). This can effectively suppress the so-called spin-flip excitation and promise a good candidate for spintronics application.     

Superconducting and normal state properties of Ag1−xSn1 + xSe2−y

The occurrence of superconductivity in a new ternary non-transition element compound with the cubic NaCl structure is reported. The composition of this compound is Ag_1?xSn_{1 + x}Se_2?y, with a maximum homogeneity range given by ?0.02 ?x?0.24 and 0 ? y ?0.1. The superconducting transition temperature (T_c) ranges from a minimum of 4.5 K for x = ?0.02, y = 0 to a maximum of 6.9 K for x = 0.24,y = 0. These T_c's are higher than previously observed in nontransition element NaCl structure compounds. Electrical resistivity data show a positive temperature coefficient, and room temperature magnetic susceptibility measurements reveal a rapidly increasing density of states at the Fermi level with increasing x. Two ionic models for calculating the carrier concentration of Ag_1?xSn_{1 + x}Se_2?y are discussed, and a third model based on the band picture is proposed. The composition dependence of the magnetic susceptibility was used to test the validity of each of the models.     

Heat capacity measurements of itinerant electron magnetism in Y3Ni13−xCOxB2 system

The heat capacity of the Y₃Ni_13−xCo_xB₂ series has been measured from 300 mK to RT. The magnetic ordering phase transitions have been characterized as second-order type and the T_c's determined. The electronic contribution to the low-temperature heat capacity for x=0 yields an electronic constant γ=54 mJ mol K², which is higher than those of YNi₅ and YNi₄B, proving experimentally that its density of states at the Fermi surface is larger than in those other compounds. The substitution of Ni by Co increases γ linearly. Electronic band calculations could explain these features.     

Magnetic and electronic structure in new iron-based layered SrFe1 − xCoxAsF systems

By using the first-principles calculation, we study the structural, magnetic, and electronic properties of the SrFeAsF compound and its Co-doped counterpart SrFe_1 − xCo_xAsF (x=0.125). It is shown that the competition of the nearest and next-nearest neighbor exchange coupling J₁ and J₂ between Fe ions gives rise to a frustrated striped antiferromagnetic order in SrFeAsF and an accompanied lattice distortion, while for the Co-doped case, both J₁ and J₂ decrease significantly as well as the lattice distortion, and thus the antiferromagnetic order is suppressed greatly. This is further confirmed by the electronic structure calculation that the density of states at the Fermi level increases with Co doping as well as the itinerancy of Fe d electron.     

Degradation of superconducting properties in MgB2 by Cu addition

The (MgB₂)_2−xCu_x (x=0-0.5) superconducting system was prepared by a solid-state reaction technique. Microstructural evolution and transport properties including resistivity versus temperature up to a magnetic field of 6 T, activation energy, thermoelectric power and Fermi energy, E_F, and the corresponding velocity, V_F, values of the samples prepared were also investigated. The XRD analysis showed a multiphase formation and no detectable solution of Cu in MgB₂. Two different impurity phases, MgCu₂ and CuB₂₄, have been identified and their peak intensity increased when the Cu concentration increased. The temperature dependence of the resistivity of the samples showed a metallic behavior down to T_c. But, for the Cu concentrations above 0.3 the superconducting phase transition completely disappeared. The magnetic field strongly affects the electrical properties. For x=0.0 samples, the transition is found to be sharp, ΔT∼1 K, but it becomes broader with increasing magnetic field and Cu concentration. The calculated values of carrier concentration, n, of the samples are showed a sharp decrease with increasing Cu content. For x=0.0 sample the n was calculated to be 12×10²¹ cm⁻³, but for the x=0.5 sample it decreased to 1.3×10²¹ cm⁻³. We found that the activation energy, U(B), decreased sharply with increasing magnetic field. According to thermoelectric power and Fermi energy, E_F, calculations the decrease of the carrier concentration by the additions of Cu into MgB₂ gives a decrease in E_F and this could be attributed to a shift of the Fermi level towards the top of the σ-hole band.     

Effect of doping V on the half-metallic and magnetic properties of Mn3Al intermetallic compound

The effect of doping V on the electronic structure and magnetic properties of Mn₃Al has been studied by density functional calculations. It is found that the V atoms for all the doped compounds prefer to enter into the B sites, and further they tend to enter into the (A, C) sites in Mn₃Al. The calculations show that the alloys (Mn_12−xV_x)Al₄ (x=0, 1, 2, 3, 4, 5, 6, 7) are ferrimagnetic whereas V₂MnAl (x=8) is nonmagnetic. The compounds of x=0, 1, 2, 3, 4 exhibit the half-metallic character, and the compound of x=5 shows a nearly half-metallicity since the Fermi level slightly touches the valence bands. For x=6 and 7, the spin polarization is 59% and 69%, respectively. The reason is mainly attributed to the behavior of Mn(A,C)/V(A,C) atoms.     

Energy bands of LaAg and LaCd and martensitic transformation

Energy bands of the simple cubic intermetallic compounds LaAg and LaCd have been calculated by using both a non-relativistic APW and relativistic KKR method in the muffin-tin-potential approximation. The density of states of LaAg is found to peak sharply just above the Fermi energy and the Fermi surface geometry shows that in this high density-of-states region the conditions are met for the band-Jahn-Teller-effect to drive the martensitic transformation observed in LaAg_{1_x} In _x ,x >0.05, and in LaCd. The case of YZn, which shows no martensitic transformation, is discussed briefly.