Abstract
The detailed ab initio calculations of the electronic structure of α-iron crystals revealed the presence of a narrow interval of specific volumes in the P(V, T=0) isotherm where dP/dV>0. According to the calculations, this anomaly occurs at pressures from −3 to −5 GPa and is due to the intensive energy-spectrum rearrangement accompanied by the almost simultaneous appearance of eight electronic topological transitions.
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References
I. M. Lifshits, Zh. Éksp. Teor. Fiz. 38, 1569 (1960) [Sov. Phys. JETP 11, 1130 (1960)].
J. O. Erkman, J. Appl. Phys. 32, 939 (1961).
M. I. Katsnelson, G. V. Sin’ko, N. A. Smirnov, et al., Phys. Rev. B 61, 14420 (2000).
G. V. Sin’ko and N. A. Smirnov, Pis’ma Zh. Éksp. Teor. Fiz. 75, 217 (2002) [JETP Lett. 75, 184 (2002)].
G. V. Sin’ko and N. A. Smirnov, J. Phys.: Condens. Matter 14, 6989 (2002).
G. V. Sin’ko and N. A. Smirnov, in Physics of Extreme States of Substance—2003, Ed. by V. E. Fortov et al. (IPKhF RAN, Chernogolovka, 2003).
S. Yu. Savrasov and D. Yu. Savrasov, Phys. Rev. B 46, 12181 (1992).
J. F. Janak, V. L. Moruzzi, and A. R. Williams, Phys. Rev. B 12, 1257 (1975).
J. P. Perdew, J. A. Chevary, S. H. Vosko, et al., Phys. Rev. B 46, 6671 (1992).
Landolt-Börnstein. Structure Data of Elements and Intermetallic Phases (Springer, Berlin, 1988), Vol. 14/III.
T. C. Leung, C. T. Chan, and B. N. Harmon, Phys. Rev. B 44, 2923 (1991).
P. Dufek, P. Blaha, and K. Schwarz, Phys. Rev. B 50, 7279 (1994).
L. Stixrude, R. E. Cohen, and D. J. Singh, Phys. Rev. B 50, 6442 (1994).
W. B. Pearson, Handbook of Lattice Spacings and Structures of Metals and Alloys (Pergamon, New York, 1958).
K. A. Gschneidner, Jr., Solid State Phys. 16, 275 (1964).
C. Kittel, Introduction to Solid State Physics, 5th ed. (Wiley, New York, 1976; Nauka, Moscow, 1978).
A. P. Jephcoat, H. K. Mao, and P. M. Bell, J. Geophys. Res. 91, 4677 (1986).
M. W. Guinan and D. N. Beshers, J. Phys. Chem. Solids 29, 541 (1968).
S. N. Vaidya and G. C. Kennedy, J. Phys. Chem. Solids 31, 2329 (1970).
S. I. Novikova, Thermal Expansion of Solids (Nauka, Moscow, 1974) [in Russian].
G. S. Bezruchko, G. I. Kanel’, and S. V. Razorenov, Teplofiz. Vys. Temp. 42(2) (2004) [High Temp. 42, 234 (2004)].
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Translated from Pis’ma v Zhurnal Éksperimental’no\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) i Teoretichesko\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) Fiziki, Vol. 79, No. 11, 2004, pp. 665–669.
Original Russian Text Copyright © 2004 by Sin’ko, Smirnov.
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Sin’ko, G.V., Smirnov, N.A. Anomalous behavior of a α-iron zero-temperature isotherm in the region of negative pressures. Jetp Lett. 79, 537–541 (2004). https://doi.org/10.1134/1.1787101
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DOI: https://doi.org/10.1134/1.1787101