Abstract
By use of simple mathematical transformations, an integral equation for the Greens function method leads to a homogeneous equation which contains only the nonsingular part of the Greens function. No limitations are imposed on the crystal potential, so the solutions may be found for any unit cell. The method is applicable to any crystal structure. Using bcc iron as an example we present various calculations which make it possible to predict ahead of time which atomic levels will form bands and which will not.
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References
V. V. Nemoshkalenko and V. G. Aleshin, Theoretical Basis of X-ray Emission Spectroscopy [in Russian], Naukova Dumka, Kiev (1974).
W. Kohn and N. Rostoker, Phys. Rev.,94, No. 5, 1111–1120 (1954).
A. I. Nazhalov, V. E. Egorushkin, V. A. Popov, and V. P. Fadin, in: Izv. Vuzov. Fiz., Tomsk, 1974, Dep. in VINITI 27.10.74, No. 2825.
V. G. Levich, Yu. A. Vdovin, and V. A. Myamlin, Course in Theoretical Physics [in Russian], Vol. 2, Nauka, Moscow (1971).
A. N. Tikhonov and V. Ya. Arsenim, Methods for Solution of Improper Problems [in Russian], Nauka, Moscow (1974).
A. F. Verlan', and V. S. Sizikov, Methods for Computer Solution of Integral Equations: An Information Manual [in Russian], Naukova Dumka, Kiev (1978).
D. Chadi and M. L. Cohen, Phys. Rev.,8, No. 12, 5747–5753 (1973).
R. E. Watson, Phys. Rev. B,119, No. 6, 1934–1939 (1960).
Additional information
Altaisk State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 120–123, July, 1995.
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Nazhalov, A.I. Nonsingular Greens function method for crystals. Russ Phys J 38, 761–764 (1995). https://doi.org/10.1007/BF00560282
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DOI: https://doi.org/10.1007/BF00560282