Spin fluctuations in paramagnetic chromium determined from entropy considerations.

We have analyzed the entropy of paramagnetic bcc Cr from the N\'eel temperature ${\mathit{T}}_{\mathit{N}}$=311 K to the melting temperature ${\mathit{T}}_{\mathit{f}}$=2136 K. It is shown that the total experimental entropy cannot be accounted for solely by a sum of a vibrational part and a Sommerfeld-type electronic term from a nonmagnetic electronic structure. The total entropy is obtained through an elaborate assessment of available experimental data on various thermodynamic properties. The vibrational part is based on phonon data obtained in neutron scattering experiments by Trampenau et al., and accounts also for anharmonic effects. The Sommerfeld-type electronic part is obtained from electron band-structure calculations. Our analysis suggests a magnetic contribution that is related to spin fluctuations and that increases with temperature. We compare Cr with the other group-VI transition metals, Mo and W, using results from our previous works. Cr, Mo, and W show striking similarities, e.g., in their anharmonic phonon softening, when considered as a function of the reduced temperature T/${\mathit{T}}_{\mathit{f}}$, where ${\mathit{T}}_{\mathit{f}}$ is the melting temperature. Since phonons dominate the heat capacity, their ${\mathit{C}}_{\mathit{p}}$ vs T/${\mathit{T}}_{\mathit{f}}$ plots are very similar.

[1]  Ashkenazi,et al.  Magnetism with generalized-gradient-approximation density functionals. , 1992, Physical review. B, Condensed matter.

[2]  L. Sandratskii,et al.  Band-theory approach to the study of local magnetization fluctuations in Fe and Ni , 1991 .

[3]  A. F. Guillermet,et al.  Analysis of thermodynamic properties of molybdenum and tungsten at high temperatures. , 1991, Physical review. B, Condensed matter.

[4]  Klebanoff,et al.  Persistence of atomic magnetism in the paramagnetic phase of chromium. , 1991, Physical review. B, Condensed matter.

[5]  Grimvall Spin disorder in paramagnetic fcc iron. , 1989, Physical review. B, Condensed matter.

[6]  G. White Heat capacity of transition metals at high temperatures , 1988 .

[7]  G. White The heat capacity of transition metals at high temperatures , 1988 .

[8]  Eric Fawcett,et al.  Spin-density-wave antiferromagnetism in chromium , 1988 .

[9]  M. G. Frohberg,et al.  Enthalpy measurements of solid and liquid chromium by levitation calorimetry , 1988 .

[10]  A. Guillermet,et al.  Critical evaluation of the thermodynamic properties of cobalt , 1987 .

[11]  F. Guillermet Critical evaluation of the thermodynamic properties of zirconium , 1987 .

[12]  G. White,et al.  Thermal expansion of Cr and CrV alloys. I: Experiment , 1986 .

[13]  A. F. Guillermet,et al.  Critical evaluation of the thermodynamic properties of molybdenum , 1985 .

[14]  J. Andersson Thermodynamic properties of chromium , 1985 .

[15]  Jan-Olof Andersson,et al.  The Thermo-Calc databank system☆ , 1985 .

[16]  G. Grimvall,et al.  Anharmonic lattice vibrations in simple metals. | Article Information | J-GLOBAL , 1983 .

[17]  G. Grimvall,et al.  Vibrational entropy of polyatomic solids: Metal carbides, metal borides, and alkali halides , 1983 .

[18]  H. Hasegawa,et al.  Microscopic Theory of the Temperature-Pressure Phase Diagram of Iron , 1983 .

[19]  F. Brotzen,et al.  Elastic constants of antiferromagnetic chromium-vanadium alloys , 1982 .

[20]  H. Skriver The electronic structure of antiferromagnetic chromium , 1981 .

[21]  H. Hasegawa Single-Site Spin Fluctuation Theory of Itinerant-Electron Systems with Narrow Bands. II. Iron and Nickel , 1980 .

[22]  H. Hasegawa Single-Siet Spin Fluctuation Theory of Itinerant-Electron Systems with Narrow Bands , 1980 .

[23]  M. Nimalendran,et al.  Elastic moduli of paramagnetic chromium and Ti-V-Cr alloys , 1979 .

[24]  G. K. White,et al.  Thermal expansion of Cr, Mo and W at low temperatures , 1978 .

[25]  M. Manghnani,et al.  Isothermal compression of bcc transition metals to 100 kbar , 1978 .

[26]  O. K. Andersen,et al.  Linear methods in band theory , 1975 .

[27]  S. Palmer,et al.  The elastic constants of chromium , 1971 .

[28]  E. Gilbert,et al.  Thermal expansivities, thermal conductivities, and densities of vanadium, titanium, chromium and some vanadium-base alloys: A comparison with austenitic stainless steel , 1969 .

[29]  L. Almqvist,et al.  Phonon-Frequency Distributions and Heat Capacities of Aluminum and Lead , 1967 .

[30]  M. Braun,et al.  Notizen: Die Atomwärme von Titan, Vanadin und Chrom im Bereich hoher Temperaturen , 1965 .

[31]  J. Smith,et al.  A Comparison of the Elastic Constants of Chromium as Determined from Diffuse X‐Ray and Ultrasonic Techniques , 1963 .

[32]  D. I. Bolef,et al.  Anomalies in the Elastic Constants and Thermal Expansion of Chromium Single Crystals , 1963 .