Is the ground state of AC60 (A = Rb, Cs) antiferromagnetic?

Electron paramagnetic resonance measurements in the metallic and the low-temperature orthorhombic phases of RbC₆₀ and CsC₆₀ powder samples and a RbC₆₀ powder sample aligned by uniaxial pressure have been performed at 34 and 94 GHz. A detailed analysis of the low-temperature signal of all samples allows the assignment of several line components to paramagnetic defects, leaving one broad line component unaccounted for. Although the behavior of this component gives strong indications of magnetic correlations, we do not find typical characteristics of antiferromagnetic resonance that have been reported by other groups at higher fields. We ascribe this to a high degree of structural disorder in the samples which inhibits the development of a long-range antiferromagnetic order. Therefore, we interpret the signal behavior as being due to magnetically coupled spin clusters.     

Transport and structural properties of polymerized AC60 (A = K, Rb) under zero and high pressure conditions

60 display transport properties vastly different from their unpolymerized counterparts. We here describe structural (X-ray diffraction and transmission electron microscopy) and dc resistivity measurements of polymerized AC₆₀ (A = K, Rb) at zero and high pressures. The structural and electronic properties are rich, and evidence is found for unusual phase transitions in both materials. Received: 28 October 1996/Accepted: 13 December 1996     

Properties of a new ferroelectric crystal family: MCd(NO2)3 [M=NH4, K,Rb, Cs,Tl]

Single crystals of MCd(NO₂)₃, with M=NH₄, K, Rb, Cs, and Tl, respectively, were grown and investigated by means of optical and dielectric methods. The crystals show rhombohedral symmetry (possible space group R 3) and multi-domain patterns at ambient temperature. The compounds exhibit phase transitions above room-temperature of first (M=K) and second order (M=Rb, Cs, Tl), respectively, into cubic high-temperature phases. Observed dielectric anomalies and hysteresis loops point to ferroelectric properties and suggest a relaxational order-disorder mechanism of the nitrite ions to be responsible for the transitions. The MCd-(NO₂)₃-compounds are seen to represent a new family of ferroelectrics with a cubic prototypic phase closely related to the structural type of the perovskites. The transions are classified by symmetry considerations, and a possible structure of the cubic high-temperature phase with space group Pm3 is proposed.     

Electronic properties of ortho-polymer A1C60 (A = K,Rb) and related phases

1 C₆₀. Its singular structural, magnetic and electrical properties greatly enhanced the study of the AC₆₀ phases (A = Rb, K and \chem{Cs}). We report our continuous wave (cw) ESR results on the structural phase transformations, phase instabilities and the related kinetics of K₁C₆₀. We quantitatively explain the origin of the difference between Rb₁C₆₀ and K₁C₆₀ phase diagrams. The stability of OP-Rb₁C₆₀ together with the narrowness of its homogenous cw-ESR linewidth in the temperature range allow to perform pulsed ESR experiments. Pulsed ESR experiments measure precisely both the electronic spin-spin () and spin-lattice () relaxation times. Above , the equality of and , which are the only contributions to the cw-ESR linewidth, constitutes a convincing evidence of the metallic nature of OP-Rb₁C₆₀. The drastic increase (decrease) of the linewidth () below \valunit{40}{K} is interpreted in terms of an \qut{electronic dimerization}. Received: 12 September 1996/Accepted: 14 November 1996     

Investigation of Paramagnetic Centers in Fullerides A2MC60 and AM2C60 (A = K, Rb, M = Mg, Be)

Paramagnetic centers in heterofullerides with the composition A₂MC₆₀ and AM₂C₆₀ (A = K, Rb, M = Mg, Be) were investigated by the electron spin resonance (ESR) method. It was found that the ESR signal can be interpreted as a composition of two lines with different temperature dependence of ESR absorption magnitude. This gives an evidence of the presence of at least two different types of paramagnetic centers. Centers of the first type behave as localized spins, while the rest can be interpreted as conduction electrons. Authors' address: Vladimir A. Kulbachinskii, Physics Faculty, M. V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russian Federation     

Elastic properties of MBH4 (M=Na, K, Rb, Cs)

The elastic properties of MBH₄ (M=Na, K, Rb, Cs) are studied by first-principles calculations using a projected augmented plane-wave method and finite strain method. KBH₄ is found to be the most isotropic material among MBH₄, which can be attributed to the contribution of C₄₄. The Debye temperatures are also calculated using theoretical elastic constants and the change along the series is explained.     

High pressure calculation of the melting curve: Na,K, Rb and Cs

The melting of four alkali metals is investigated in the present paper, in the theoretical framework defined in a preliminary study on sodium. The calculations enable us to predict the existence of a very flat maximum on all four phase lines. The obtained results are in good agreement with experiment in the case of Na, K and Rb, and emphasize the importance of “d” effects and the dramatic influence of the electronic transition on the high pressure fusion curve of Cs.     

Ionic conductivity in the new series MSbTeO6 (M = K,Rb, Cs,Tl, Ag)

The series of pyrochlores MSbTeO₆ (M = K, Rb, Cs, Tl, Ag) were prepared and characterized by means of powder X-ray diffraction methods. ac measurements by the complex impedance method were performed at different temperatures. The conductivity of AgSbO₃ was also measured to be compared with the conductivity of AgSbTeO₆.     

Electronic structures and magnetic order of ordered-Fe-vacancy ternary iron selenides TlFe1.5Se2 and AFe1.5Se2 (A=K, Rb, or Cs)

By the first-principles electronic structure calculations, we find that the ground state of the Fe-vacancies ordered TlFe(1.5)Se(2) is a quasi-two-dimensional collinear antiferromagnetic semiconductor with an energy gap of 94 meV, in agreement with experimental measurements. This antiferromagnetic order is driven by the Se-bridged antiferromagnetic superexchange interactions between Fe moments. Similarly, we find that crystals AFe(1.5)Se(2) (A=K, Rb, or Cs) are also antiferromagnetic semiconductors but with a zero-gap semiconducting state or semimetallic state nearly degenerated with the ground states. Thus, rich physical properties and phase diagrams are expected.     

Near threshold photoionization of excited alkali atoms Ak(np) (Ak = Na, K, Rb, Cs; n = 3-6)

The effect of the polarization of the atomic core by the outer electron on near threshold photoionization of excited alkali atoms Ak(np) (Ak = Na-Cs; n=3-6) is investigated. Partial and total cross-sections for photo-ionization of the np-electron were computed utilizing the configuration interaction technique with Pauli-Fock atomic orbitals (CIPF) and including the long range core polarization potential (CP). To calculate the core polarization potential the variational principle is applied. Comparison with previous theoretical results and with available experimental data is made for the total cross-section , for the electron angular distribution parameter , for the ratio of the reduced electric dipole matrix elements and for the phase shift difference , associated with the d-wave and s-wave continua, respectively. In the comparison, new experimental results for , , and , measured for laser-excited, polarized ³⁹K(4p _3/2) atoms, have been included. Received 21 July 1999 and Received in final form 14 October 1999