Vol. 6, №1, 2014

PHYSICS OF THE CONDENSED STATE

MODEL PSEUDOPOTENTIALS OF IONS OF SIMPLE METALS IN THE CONDENSED CONDITION
Krisko Оleg V.
Vladimir State University, faculty of physics and applied mathematics, http://www.vlsu.ru
87, Gor’kogo str., 600000, Vladimir, Russian Federation
krisko1952@mail.ru
Silonov Valentin M.
Lomonosov State University, Physics department, http://www.msu.ru
½, Leninskie Gory, 119991 Moscow, Russian Federation
silonov_v@mail.ru
Skorobogatova Tatiana V.
Moscow state technical university of civil aircraft, faculty of aviation systems and complexes, http://www.mstuca.ru
20, Kronshtadtsky bulv., 125993, Moscow, Russian Federation
tankris@mail.ru

The new method of calculation of crystal parameters of smooth nonlocal model potentials (SNMP) of simple metals has been proposed. Energy of Fermi’s electrons in a crystal was counted from energy of shared electrons and ions. The parameter describing interaction of pseudopotential of an ion with of pseudowave function of a crystal has been introduced into theoretical expression for Fermi’s energy of electrons of conductivity. Values of parameters were calculated according to the requirement of the maximum affinity between theoretical values of dependence of energy of connection in a crystal their volume (in the second order concerning volume) and the same dependence known from experiment. Values of crystal parameters of eleven simple metals have been received by means of linear extrapolation of SNMP values of parameters of free ions to conductivity electrons Fermi’s energy. In calculating crystal parameters SNMP known SNMP parameters of free ions [9]. In the paper, such as energy of communications connection, balance of volume, volumetric modules of elasticity some physical properties of eleven have been calculated. Comparison of experimental and theoretical values has shown the satisfactory agreement of experimental and theoretical data. The method (SNMP) of simple metals can be used for modeling physical properties of metals and alloys depending on changes of the volume of atoms in crystals.

Keywords: model pseudopotentials, smooth nonlocal model potentials, physical properties of simple metals.

UDC 539.1:536.4 PACS 61.00.00; 61.10

Bibliography – 21 references
Received 16.05.2012

RENSIT, 2012, 4(2):108-125
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