Äîêóìåíò âçÿò èç êýøà ïîèñêîâîé ìàøèíû. Àäðåñ îðèãèíàëüíîãî äîêóìåíòà : http://www.test.physchem.msu.ru/doc/solid_state_physics.pdf Äàòà èçìåíåíèÿ: Wed Nov 19 18:36:14 2008 Äàòà èíäåêñèðîâàíèÿ: Sun Apr 10 22:56:13 2016 Êîäèðîâêà:

- ( ), , E­mail: avn46@mail.ru , ­ , . , , , . [1] , : Error! Bookmark not defined.u1=1r/r3,
A A

4 4 4 x +y +z 3 u2=C2 15 - , 4 r 5 r

(1)

r = x + y + z - , 1, C2 ­ . , . [1], ­ , , . . [1], , .. . , , , , , . .. . , , 5- . (5 ) . , . . , , . , , . , , . , ( ) :
2 2 2

(xi-xj)(T)= (xi-xj)(0) (1+T),

(2)

( , ) (. 1, 2).


.1. . .2. (Fe-I ­ , Fe-II, Cu ­ , Mo, W, V ­ , Ni ­ ).

. 1, ­ . 1/2 Tm Tm, , Q = Q0+AT. , , , , , : exp(-A/k). ­ . . 1. .., .. (2008) ,

// . 105, 6


- 1 , , , , e­mail: Vlasencova_E@tltsu.ru
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[1]. (. 1 ) , . , [2]. , . : ; . . ( ) : 1. . - (. 1 ). 2. , . (. 1 ), , . (. 1 ), 100 , .

. 1. ­ ; ­ ; ­ , .

, - . , .. 1. .., .. , . ­ : , 2006. ­ 206.
- 08-02-99034, .-.., .. .
1

3


2. .., .. . 2007, . 33, . 20, . 73-79.

4


1, 2, 2, 2
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, 2 - ( ), , E­mail: avn46@mail.ru
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1

, . . . , . , , , . , , [1]: Error! Bookmark not defined.u1=1r/r3 (1)
A A

u2=C2

4 4 4 1 x + y + z - 3 4 r5 5 r

,

(2)

r = x 2 + y 2 + z 2 - , 1, C2 ­ . , : VfE [1], Vf ­ , , . . [1], , .. . VfE ,Vf, Vf . , . , . . (. 1). , 5


, .. : (xi-xj)(T)= (xi-xj)(0) (1+*T), (3) ­ . , , , (3) ( ) 1 , VfE ,Vf Vf . . 2.

.1. .

.2. V E (Fe-I ­ , Fe-II ­ , W ­ , Ni ­ , Cu ­ ).

f

6


. 2 , VfE . Vf . , VfE, , , . 1. .., .. (2008) ,

// . 105, 6

7


GaInP:Dy/por-GaAs/GaAs(100) .., .., .. , ., E-mail: antglotov@gmail.com
U U HU U

AIIIBV . , , , AIIIBV , . , ­ . GaInP ~0.2 m, , GaAs (100), GaAs, GaAs (100). , GaInP (x~0.50) GaAs (100) =0.0064. , K1.2 ­ (K1=0.28º). (nDy~1016 cm-1) GaInP (K1=0.1º). GaInP:Dy/por-GaAs/GaAs(100) . K1.2 ­ - K1=0.08º, . , , GaInP GaAs, , "" . , (.1) , GaAs . GaAs (100), . 1. GaInP.
GaInP:Dy/GaAs

8


, GaInP/GaxIn1-xAsyP1-y/GaInP/GaAs(001) .., .., .. , ,
U U

E-mail: nikolaygnn@rambler.ru
H

, - . . . . : GaInP GaInAsP. , GaInP, () GaInAsP GaInP. InGaAsP , , , - . () InGaAsP . : , , . InGaAsP, , , [110] . , , , K1,2- InGaAsP. K1,2 K1,2 . GaxIn1-xAsyP1-y Ga As In P. , : a ( x, y ) = aInP (1 - x)(1 - y ) + aInAs (1 - x) y + aGaAs xy + aGaP x(1 - y ) , GaInAsP . ­ . ( ) [1]:
Eg ( x, y ) = 1.35 + 0.668 x - 1.068 y + 0.758 x 2 + 0.078 y 2 - 0.069 xy - 0.0332 x 2 y + 0.03 xy
2

1. C. Lamberti, Surface Science Reports, 53, (2004).

9


2-(-)-4,5- , , E­mail: lena_graschenko@mail.ru [1]. () [2]. , ­ ( , ). , . , , , . , . () . 1--1---3--1,3, (R)-[(R)--(1-N,N-)]-2,5(). . , . 2-(-)-4,5 (I). - PBE TZ2P «PRIRODA» [3]. ( 0.44 å -0.35 å) . 1. N(1) H(1)...2, N(1)-O(2) 2.607 å, H(1)-O(2) 1.697 å O(2)H(1)N(1) 144°. , . 1. 575 , . . 10


1. 2. 3.

Day G.M., Motherwell W.D.S., Ammon H. L. et al.//Acta Cryct. 2005. V. B61. P. 511. ..// . 2001. .46. 1. .19. Laikov D.N.//Chem. Phys. Lett. 1997. 281. P.151-156.

11


c II , , ., E­mail: dalievshkh@yandex.ru . [1-4], . - , , , . , ­ , Si . n p- . Zr 1000Â12500 1Â50 . Zr . n- p-Si, , Zr Si. , n-Si . p-Si . Si, - , DLTS (). DLTS n-Si , Zr Si -0.22 , -0.42 v+0.30 , . DLTS n-Si , -0.22 , , , . () , 100Â300 -0.42 v +0.30 , -0.22 . - Si . 1. A. . ­ ., , 1977, 547. 2. . . . . ., , 1984, 264 . 3. .., .. . : , 1993. 192 . 4. : ... / . ... .: , 1990. 256 . 12


­ InGaP/GaAs (100) .. , .., .. , , , E-mail: zhurb@mail.ru
U U

- InxGa1-xP /GaAs (Dy) . , - . .. . InxGa1-xP GaAs (100). 1Â3 , (x~0.50). ­ 50 650 -1 Vertex 1-1. , - "-":
R ( ) = r f ( ) + r fs ( ) exp( 2 ) 1 + r f ( )r fs ( ) exp( 2 )
2

rf =

1 - f ( ) 1 + f ( )

r fs =

f ( ) - s ( ) f ( ) + s ( )

=

2d f ( )



=

10000



f = +


i

4f i (TOi ) 2 - (TOi ) 2 - 2 + i


j

( pj ) 2



( + j )

: TO i- - TOi, fi i. s, ­ GaAs (100), , , . ­. , In-P, InxGa1-xP . ­ InGaP(Dy)/GaAs , . 1. .. (., , 1997) 2. .. , .. , .. , .. , .. , .. . ,40(4), (2006) 3. G. Lucovsky, M.H. Brodsky, M.F. Chen, R..J. Chitotka, A.T. Ward. , Phys. Rev. V4, N6 (1971) 4. T. Hofmann, G. Leibiger, V. Gottschalch, Ines Pietzonka, M. Scubert, Phys Rev 64(155206), (2001) 5. N.L. Rowell, G. Yu, D.J. Lockwood, P.J. Poole, Phys Rev 68 (165320), (2003)

13


Ni-Cr . , , - ( ), , zadoiniy@mail.ru, oksana_malyshko@mail.ru
U U HU UH HU U

Ni-Cr (38%, 40% 42%) . , Ni-Cr ( ) , . (). , () R () . 38% 42% ( 1050°; 500° 10; 500° 90) Ni-Cr , , . 40%, 42% . , 42% Cr, , Ni2Cr , « » . , 38% Cr ( ) Ni2Cr , . , « » (), . , 38% Cr, . ( Ip2) , . , 42% Cr, . ( , ), , , , , , , , ( , ..). , , (« »), , , Ni2Cr, , , , .

14


1. .., , .. . Ni-Cr (), , 2007, 1, .68-72. 2. .., , .. . Ni-Cr , , -2007, .5, .116-117. 3. P.Kirkegaard, N.J.Pedersen, M.Eldrup, PATFIT-88: A data-processing system for positron annihilation spectra on mainframe and personal computers, February 1989 ­ revised August 1997 - reprinted November 2003, Riso National Laboratory, DK-4000 Roskilde, Denmark.

15


.
1

. .., , E-mail: leyla_isaeva@yahoo.com , . , [1]. , , , [2]. . L12 Pd3VacHx, [3]. , [5]. Pd3VacHx [6]. , -. 4x4x4 k- , [7]. Pd3VacHx , [8]. , , . , . . ( 07-02-01452).

: 1. Morinaga, H Yukawa, Materials Sci. And Engin. 268, A329-331, 2002 16


2. Y.Fukai, N.Okuma. Formation of superabundant vacancies in Pd hydride under high hydrogen pressures.// Phys.Rev.Lett., Vol.73, 1640-1643, 1994 3. D.S. dos Santos, S.Miraglia, D.Fruchart. A high pressure investigation of Pd and the Pd-H system.// J. Alloys Comp. 291, L1-L5, 1999 4. R.Caputo, A.Alavi. Where do the H atoms reside in PdHx systems?// Molecular Physics, Vol.101, 1781-1787, 2003 5. M.C.Payne, M.P.Teter, D.C.Allan, T.A.Arias, J.D.Joannopoulos. Iterative minimization techniques for ab-initio total-energy calculations: molecular dynamics and conjugate gradients. //Rev.Mod.Phys., Vol.64, No.4, 1045-1097,1992 6. J. P. Perdew, A. Zunger. Self-interaction correction to density-functional approximations for many-electron systems.// Rev. B, Vol.23, 5048, 1981 7. H.Monkhorst, J.Pack. Special points for Brillouin-zone integrations.// Phys.Rev.B, Vol.13, 5188, 1976 8. S. Baroni, S. de Gironcoli, and A. Dal Corso, P. Giannozzi, Phonons and related crystal properties from density-functional perturbation theory.// Rev. Mod. Phys. Vol.73, 515 ­ 562, 2001

17


Ni-Cr .

,
U U

, - ( ), , akorets@post.ru, xa-a@mail.ru
HU UH HU UH

Ni-Cr . , , . , . , , . - , , . , -.

1 41Cr-1Mo

2 Ni-38Cr-ZnKb1.

, , . 18


, , . , , . , 67%.

1. , , , " " , 2000. 2. Vincze L., Janssens K., Adams F.// Adv. X-Ray Anal., 1994, 37 3. .., .., .., .. . ­ : , . ., 1991. ­ 173 .

19


- : . 2 , 1, 1 - , , , E­mail: harmful87@mail.ru
U UF F HU U

(0 100 ) . ( < 200) , , , , , , . . , . , . , . Ar+ (0=10 ) u(100) L= 15 - 45å. . He+ Ne+ Ni(100) . , . 1. E.S. Parilis, L.M. Kishinevsky, N.Yu. Turaev, B.E. Baklitsky, F.F. Umarov, V.Kh. Verleger, S.L. Nizhnaya, I.S. Bitensky, Atomic Collisions on Solid Surfaces, NorthHolland, Amsterdam, 1993. 2. .., .. . ., , 1995.

..-.., , .. .

2

20


, .
0B

1 .., 2 .. , . .. , - , ,
E-mail: darya_mk@inbox.ru

, , . , , .. (~9). , , . - "" ­ (Re3+). , (Eu2(MoO4)3 ­ EMO) ~0.8 , () (). . , 0.5% Eu. , 8 Eu3+, Gd1.99Eu0.01(MoO4)3 ­ (GMO:Eu) Eu3+ ~25 . ­ "", GMO . () GMO:Eu 605-630 , max = 614.0 616.2, ~0.7. GMO:Eu max = 612.7 ~ 10.4. () max < 400, max = 466. GMO:Eu max = 395 , () >400. GMO:Eu =410 (3.02). , GMO 4.13 3.02 . GMO:Eu ~ 9000 ­ , GMO, GMO:Eu. 21


Pt3Co/C *, ** * , . .-. ,** , --, E­mail: i.leontyev@rambler.ru , , , (). , , , . , Pt, , . Pt , Co, Ni .[1]. Pt3Co/C . ­ Pt3Co/C . Pt-Co . (Timrex HSAG-300) H2PtCl6*6H2O Co(NO3)2 *6H2O. , Pt:Co 3:1. . () 1:5 , 23, 1:1 E25, 5:1 E27. E23, E25 27 H2SO4 1 100 0. E24, E26 28. - (SNBL ESRF) =0.72287 å. ­ Image Plate Mar-345. LaB6. , Timrex ­ Fmmm (a=2.456 å, b=4.254 å, c=6.696 å) R3m (a=3.6420±0.0001 å, =39030). , , (FWHM) . ­- [2]: PV = L + (1 - )G , - . FWHM, , , .. (111) FWHM, , . : 1) ; 2) ; 3) . 22
U U


111 [3], - [4]. FWHM (111). . [3] [4]
111

E23 3,0 3,2 1,5

E24 4,0 4,3 2,1

E25 3,9 4,3 2,1

O E26 4,8 5,1 2,5

E27 4,7 4,9 2,5

E28 5,7 6,0 3,0

,nm

111,nm , nm

, [4] , . , . 0,8-1 . - , . , , , , - 2 2 . 0.5(cos / sin + cos / ) .1 , (111), .1, . a . (111), , , , , -, , , , , . , , .
1. 2. 3. 4. Stamenkovic V R. et al (2007) Trends in electrocatalysis on extended and nanoscale Pt-bimetallic alloy surfaces// Nature, V6, p. 241-247. Thompson P., Cox D.E., Hastings J.B. (1987) Rietveld Refinement of Debye-Scherrer Synchrotron X-ray Data from A1203//J. Appl. Cryst. V.20, p.79-83. Klug H. P., Alexander L. E. (1974) X-ray DiffractionProcedures from Polycrystalline and Amorphous Materials p. 275. New York: John Wiley. R. Pielaszek, (2004) FW1 / 54 / 5M method for determination of the grain size distribution from powder diffraction line profile, Journal of Alloys and Compounds, V.382, p. 128­132.

23


1 ... , , E-mail: lekhanov@mail.ru
HU U

, , , . , , , . . ­ () . ( ). ­ - ( ). ; - , ; - r «» ­ ; - r , .. «» . :

: ­ 24


. , . 1. .., .. (2004) ­ . . 2. . . (1975) . . .

1

... .. .

25


(001) (111) 1 . .. , , E-mail: mutigullin@gmail.com [1, 2]. , , , . . PAW- (001) (111) -. , (001) (111) , , (001) [3, 4]. (001) , . , ( ). (001) . : 1. M. Yudasaka, Y.Kasuya, F. Kokai, K. Takahashi, M. Takizawa, S. Bandow, S. Iijima (2002) Causes of different catalytic activities ofmetals in formation of single-wall carbon nanotubes // Appl.Phys. A 74, 377-385. 2. Z.P. Huang, D.Z. Wang, J.G. Wen, M. Sennett, H. Gibson, Z.F. Ren (2002) Effect of nickel, iron and cobalt on growth of aligned carbon nanotubes // Appl. Phys. A 74, 387-391. 3. G. Panaccione, J. Fujii, I. Vobornik, G. Trimarchi, N. Binggeli, A. Goldoni, R. Larciprete, G. Rossi (2006) Local and long-range order of carbon impurities on Fe(100): Analysis of self-organization at a nanometer scale // Phys. Rev. B 73, 035431. 4. C. Uebing (1994) Equilibrium surface segregation of interstitials on bcc (001) surfaces: A lattice-gas approach // Phys. Rev. B 50, 12138.

26


YBa2Cu3O7 , , E-mail: Elena_eruk@mail.ru , , . , , , , , ­ . , «» - , [1], [2] . , ; , , . , [3]. , (), . . 230 . , . Crystal Lattice Structures [4] : FeS2, Fe2C, CaCl2, AlPS4, YBa2Cu3O7, CaTiO3. (C) YBa2Cu3O7: YBa2Cu3O7, GaSr2(Y,Ca)Cu2O7. C , , , .. - , . , . YBa2Cu3O7 1 , 47 ( D2 h ). [4] : 1=(0; 0; 0) ­ Cu-I (1a) 8=(0; b/2; 0) ­ O-II (1e) 2=(0; 0; z1) ­ Cu-II (2q) 9=(a/2; 0; z3) ­ O-III (2s) 3=(0; 0; -z1) ­ Cu-II (2q) 10=(a/2; 0; -z3) ­ O-IV (2s) 4=(a/2; b/2; c/2) ­ Y (1h) 11=(0; b/2; z4) ­ O-V (2r) 5=(a/2; b/2; z2) ­ Ba (2t) 12=(0; b/2; -z4) ­ O-V (2r) 27


6=(a/2; b/2; -z2) ­ Ba (2t) 7=(a/2; 0; 0) ­ O-I (1b)

13=(0; 0; z5) ­ O-VI (2q) 14=(0; 0; -z5) ­ O-VI (2q)

.1. YBa2Cu3O7 Ca c 7 8 , . [5] : (n1(a/2l), n2(b/2m), n3(c/2n)), l, m, n ­ , : as = a/l, bs = b/m, cs = c/n ( l=m=n=1), ni ­ , . 7 8 : 1) n2=n3=0, n1=1 2) n1=n3=0, n2=1 . Cu, Y, Ba . 1. .., .., .., .. // . ­ . 46, 5. ­ . 826-829 (2004). 2. .., .. // . ­ . 45, 1. ­ . 37-41 (2003). 3. .., .. // . ­ . 50, 5. ­ . 782-787 (2005). 4. «Crystal Lattice Structures» http://cstwww.nrl.navy.mil/lattice/ 5. .., .. // . . ­ . 50, 4. ­ . 55-62 (2007).
HU U

28


SiO ..,a ..,a .., a ..,a ..,a ..,b ..,b . b 3 . a , , b , . , E-mail:pankov@phys.vsu.ru
U U

x

1

, SiOx , (XANES) (XES). (XANES) (XES) . XANES Si L2,3- BESSY-II (, ) SRC (C, ). SiOx 900-1100oC. XANES , , . , . , SiOx+Si Â12.4-11.8 , . (. 1). . 1. Si L2,3 ­ XANES (~10o).

________________________
1

-4932.2007.2







29


3 , , , , E­mail: kozulyn@ftf.tsu.ru , . . . . - , , . : , ; . , , . , - . : , , . , 5%. -. , . : v0=300 /. t = x/0 = 6.9*10-9 c 0 ­ . (t = x/0 = 6.9*10-9 c). . , , , . , , . . , . .
U UF F

3

, ..-.. .. .

30


4 , , , , E­mail: kozulyn@ftf.tsu.ru - . Al2O3 . - , . , . - , - . . 1 . 1. Al2O3 . . . ~ 300 /c. , .
U UF F

) . 1. : ) Al2O3, ) -

)

, - . , , .
4

, ..-.. .. .

31


- , 5 . . ., E-MAIL: NASYPL@YANDEX.RU
1B F 2B 3B HU U

1965 LiNbO3. : , 710-820 , (Al2O3:Ti3+), 660 1060 . Ti3+ Al2O3:Ti3+ [1,2] Y3Al5O12:Ti3+ [3,4] , Ti3+ Gd3Ga5O12 () . - Ti3+ - Bi2O3 - B2O3 (111) . 54 . TiO2 0.1 8 .%. CAMEBAX. , Ti3+ ( 0,6 25,9 .%) . , , 1, , (. 1). , , HN3, - . 1 , , Gd Ga. . , {110}, (. 2). TiO2 . 2 5 .%.

5B

1. Moulton P. 8, 6. ­ P. 2.

F. Ti-doped Sapphire Tunable Solid-State laser // Optical News. ­ 1982. ­ Vol. 9. . ., . ., . . . - Al 2 O 3 : Ti 3+ // . ­ 1985. ­ . 284, 4. ­ . 848-850.

, ..-.. .., . . ., ..-.. .., ..., ..-.. .., ..., ..-.. .. .

5

32


3. Bantien F., Albers P., Huber G. Optical transitions in titanium-doped YAG // J. Lumines. ­ 1987. ­ Vol. 36, ­ P.363. 4. .., . // . ­ 2007. ­ . 49, . 2. ­ .234.

33


, ..

. .. , , . (TiO2) . TiO2 - ( 3,2 ), - . TiO2 , , , , . [1, 2]. TiO2 d TiO2, c TiO2 b2 b1 [3]. a TiO2. 3320 3340 3360 3380 3400 3420 H (G) TiO2 . 1 C TiO2, , TiO , 2 300 : a ­ , b1 ­ . , b2 ­ - . b1, c ­ 15 ., d ­ 1 . TiO2 (N-TiO2) . , TiO2, , . N· - N· - . N· - N· Ns 1.8·1015 / ( ) Ns = 8.61015 / 400 < < 1000 77 K (. 1). 1 . . , N-TiO2 N· N·. . .
[1] [2] [3] 36. S. Sakthivel, H. Kisch // Angew. Chem. 2003. 115. p. 5057. S. Sakthivel, H. Kisch // Chem. Phys. Chem. 2003. 4. p. 487. D.W. Bahnemann, S.N. Kholuiskaya, R. Dillert, A.I. Kulak, A.I. Kokorin // Appl. Catalysis B. 2002. p. 161.

34


GaxIn1-xP/GaAs. .. , .. , .. .
U U

() x~0.5 GaxIn1-xP/ GaAs (100) . ­ ( ) GaAs (100) . . GaAs (100) GaxIn1-xP 600Â7500, 20 450 /. -4-07 (600) Cu Ka1,2 . 6 GaxIn1-xP/GaAs (100), . (600) , ( 3 ). x=0.49Â0.56 . GaxIn1-xP/GaAs (100) . 794 =0.51: Ga0.51In0.49P/GaAs (100), T=7000 PH3=20 /.

35


.. , .. - ( )
U U

, , . , , - , - , - , . , . , Fe-C, ( O - T ­ O). ( (. . 1), . [1]:

Fe

. 1.

J1 = -

1 (D11c ) (D12 c ) (D13 c ) + + z y x

- . , D11 [1]:

K D11 D / 2 exp - 1 11 kT



K2 22 + K3 33 K + K3 22 + exp - 2 33 exp - kT kT
D

a2 Q exp - 4 kT D - , Q ­ - . K1, K2, K3 [1]:

36


K j = a


p

Es A R ks
p j

-
R
ks

=R

W p


q

Es B R ks
q j

R

ks

=R

0 q

,

j = 1, 2 , 3
(1)

, Es ­ , . , . : - (Strain influence on diffusion (SID) coefficients) ; - . , [2]. (1) . , , . Fe .

A

p j

B

q j

(a)

(b)

37


. 2. () (b) Fe [2] , . , 2, , . .

1. Nazarov A.V., Mikheev A.A. Effect of elastic stress field on diffusion // Defect and Diffusion

Forum. 1997. V. 143 - 147. P. 177 - 184. 2. .. , .. , , . : , 106, 1, 2008

38


, () . 1, 2 , . .. , - , ,
U U

E-mail: ilyushok@mail.ru
HU U

, - , , , , 10-15%. . ( ~200 nm) Cu0.18wt.%Zr, -. , 500 , , . 8 - BC. 5 MHz. (~1µs) , . , 0.2-0.5%. 3 () - ( -) 30 min 300. , , . , , 4%. .. , . .
6
F

6 2

- , ,

39


- - - 7 - ( ), , , E­mail: Selezneva_LV@bk.ru , . , . , , : - ; - . , . (, , ), . (), (, ). Ni-H Fe-H , (.. ). , . . . , , . . , . , E r, E, ( ).
F

7

, ..-.. .. .

40


- [1] . , . : - ­ , - ­ , - , - , 1 1.

1. (- ) (- ) - 1. 0.68 1.5 0.41 0.63 0.44

, Emv -Fe Emv Ni EmH -Fe EmH Ni EH-V -Fe EH-V Ni

0.67 0.8 0.07 0.39 0.59 0.83

. , . . 0,62 0,07 . . 1. Selezneva, L.V. Nazarov, A.V. (2005) Simulation of interstitial atom diffusion in FCC metals with point defects // Defect and Diffusion Forum, Vols.237-240, p. 1275-1280

41


K3H(SO4)2

. .. , , E­mail:aglietto@gmail.com MmHn(XO4)(m+n)/2 ( = K, Cs, Rb, NH4; X = S, Se, As), - , , , . , , , , . , K3H(SO4)2 1960 [1], 1990- [2], . , K3H(SO4)2 . K3H(SO4)2 293 ­ 473 Xcalibur CCD- BRUKER . : . . C2/c, z=4, a=14.698(1)å, b=5.683(1)å, c=9.783(1)å, =103.01(1)° (R=1.16%, Rw/R=1.73/1.87%, BRUKER; R=2.87%, Rw/R=1.44/1.67%, Xcalibur) : . . R-3m, z=3, a=5.73(1)å, c=21.51(1)å, (R=2.29%, Rw/R=4.32/4.52%, Xcalibur)(. 1). . 2 3 K3H(SO4)2: 443 453 , , c* . K3H(SO4)2 .
HU U



. 1

. 2

. 3

1. Parry G.S., Glasser L. (1960) // Z.Kristallogr., v.113, p.57. 2. Noda Y., Uchiyama S., Kaffuku K., Kasatani H., Terauchi H. (1990). //J. of the Phys. Soc. of Japan, v.59, 8, p.2804-2810.

42


Pd . 1 . .. , , E­mail: smelova_k_m@mail.ru . [1,2,3,4] [5,6,7,8] , ( , ). . . . [9]. , - [10,11]. () (). k- , [12]. , . (.1). (.2)

r2(z) r
1

5 4 3 2 1 0
[å]

r
d

r2(xy)

1 2


r2(z)

r

() ()

r

1

r2(xy)

7

( )

[ å]

8

9

10

11

12

.1 Pd , .

.2 Pd .

( ~8å). Pd . 43


Pd , Pd . 3,6 (.3).
0,40 0,35 0,30 0,25 0,20 0,15 0,10 0,05 0,00
0,40 0,35 0,30 0,25 0,20 0,15 0,10 0,05 0,00
[B]
[B]



(GGA) (GGA) (LDA)

( )

7 8 9 10 11 12 [å]

( )

7 8 9 10 11 12 [å]

.3 () ()* *

, Pd . , . 1. Delin, E. Tosatti, R. Weht, Magnetism in Atomic-Size Palladium Contacts and Nanowires. Phys. Rev. Let., 92, 5,057201 (2004). 2. Simone S. Alexandre, Maurizio Mattesini, Comment on "Magnetism in Atomic-Size Palladium Contacts and Nanowires". Phys. Rev. Let., 96,079701 (2006). 3. V. S. Stepanyuk, A. L. Klavsyuk, W. Hergert, A. M. Saletsky, P. Bruno and I. Mertig, Magnetism and structure of atomic-size nanocontacts. Phys. Rev. B 70, 195420 (2004). 4. Delin, E. Tosatti, R. Weht, Delin, Tosatti, and Weht Reply, Phys. Rev. Let., 96,079702 (2006). 5. Tomoko Matsuda and Tokushi Kizuka, Palladium Wires of Single Atom Width as Machanically Controlled Switching Devices. Japance Journal of Applied Physics, 45, 50. 6. Varlei Rodrigues, Jefferson Bettini, Paulo C. Silva, and Daniel Ugarte, Avidence for Sponteneous Spin-Pollarized Transport in Magnetic Nanowires, Phys. Rev. Let., 91,096801, (2003). 7. F. Sato, A. S. Moreira, J. Bettini, P. Z. Coura, S. O. Dantas, D. Ugarte, and D. S. G, On the Formation of Copper Linear Atomic Suspended Chains, Phys. Rev. Let.,91,096801, (2003). 8. K. M. Smelova, D. I. Bazhanov, V. S. Stepanyuk, W. Hergert, A. M. Saletsky, and P. Bruno, Interplay between magnetism and structure in atomic-size Pd contacts: Ab initio studies, Phys. Rev. B 77, 033408 (2008) 9. A.Gonis, Theoretical materials science, 2000. 10. G. Kresse and J. Furthmuller. Ef_cient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B, 54:11169, (1996). 11. P. Blochl. Projector augmented-wave method. Phys. Rev. B 50, 17953 (1994).
HU UH

12. Hendrik J. Monkhorst, James D. Pack, Special points for Brillouin-zone integrations, Phys. Rev. B 13, 5188 (1976)
44


, , . .., , E­mail: tahk@rambler.ru; udodov@khsu.ru . ­ 1D ( , ). . z ~ z , (1) - , z ­ . ( , -) z=2. ( = L = N , L ­ , N ­ ) ~ Lz = N z . (2) . z0 z02. , () (3) = N z f , N - z , N ­ , z ­ , - . , , z = N z ( f 0 + f1 + f 2 2 + ...), (4)
U U

z = c z 0 , z0 ­ z (.. ), =N , f1, f2, ... ­ ,
f0 = N z0 ,
-z- 1

,

(5) (6)

­ ­ , . . (4), f2=f3=...=0, z , z , f1 , z, , (4) . , f3=f4=...=0, z , f2. . z . z1 2,2±0,4, .. z1 z0 . , z 5-6 , , . , , . , , .

45


RDP . .. , , E-mail: Webegor@yandex.ru
HU U

­ , , , .. o , , , . , . , , . - [1] . , , , . RbD2PO4 (RDP) - . >123 K I-42d. , . - , 00l, l=4n+2; h-h0, h=2n+1; hhl, 2h+l=4n+2 - , - . 5-50, 006, 666 ( . 1).
, . .
0, 01 0



0, 00 8

00 6 5- 50 66 6

0, 00 6

0, 00 4

0, 00 2

0, 00 0 -1 0 -5 0 5 10 15 20

- ,

.1 006, 5-50 666 - , . - , . 46


, « » . 07-02-00324- [1] Dmitrienko V.E., Ishida K., Kirfel A., Ovchinnikova E.N. Acta Cryst. 2005. A61.481 ­ 49

47


8 , , E­mail: chsv@dongu.donetsk.ua , 1991 , (E) , «» , . [1-3]. , , , , . . . . JEM ­ 200. - -4. - . 60 - , 1,434±0,003 . . 20º 160º , , (20±3)% (9±0,5)%, . , . , . 1,4·1011 -2, - (4,3±0,5)·1010 -2. , , , , , , , . , , . , .
4B F

8

.., .., .., .., .. .

48


a . ( ­ =20º, - =160º).

, , (2,24±0,02) , =160º - (2,26±0,05) , [1]. Origin PeakFit. , (=20º; h=118 ) 1,29 , 1,77 , 2,00 , 2,48 2,96 . (=160º; h=338 ) 1,55 , 1,83 , 2,00 2,48 . 2,00 hut1u 3 . 1,29 1,77 , . ( ) . , , 1, , , , . 1. .. // .-2001.-.35, .3.- .257293. 2. .. : . ......-..:01.04.01/ ..- , 2005 .-19. 3. .., .., .. 60 // .- 1994.-.59, .10.-.667-670.

49


- .. , - , ., . E­mail: natalia.churkina@gmail.com
HU U

­ . ­ , . . - . , , . . . , . , ­ . . 1 : p, 1, x1, 3 1 - x1
.1 , CaCO3

(

)

F0 , 2·10-4 , Tf=950 , T0=600 . . F0=0.2, t=0.4 [2]. . , . - , , .

. . . .. , .. . ­.: , 1991. 2. .., .. . ­ . ­ . XXIII. ­ , 1980. 50

1.


, , , E-mail: zarif@jinr.ru [1]. [1, 2]. ( ) (, ). SRIM-2003 [3] , , , : - ( S inel ( z ) (-E ( z ) / z ) inel ) , - ( S elastic ( z ) (-E ( z ) / z ) elastic ) , - ­ ( S phonons ( z ) (-E ( z ) / z ) phonons ) .
HU U

700 (SRIM-2003): E inel 690 (98,48%) E phonons 10 (1,52%) 700 . [1]: T 1 C e (Te ) e = re (Te ) r r t


Te || T (1) + e (Te ) e - g (Te ,i )(Te - Ti ) + Ae (r , z , t ) r z z T 1 T T C i (Ti ) i = (2) r i (Ti ) i + i|| (Ti ) i + g (Te ,i )(Te - Ti ) + Ai (r , z , t ) r r t r z z (t - t e 0 )2 r Ae (r , z , t ) be S inel 0 exp - exp - 2 r 1 ( z ) , 2 et e0 (t - t i 0 )2 r Ai (r , z , t ) bi S phonons 0 exp - exp - 2 ( z ) , 2 r 2 it i0 Ae (r , z , t ) Ai (r , z , t ) , . (1)-(2) : Te,i (r , z ,0) = T0 = 300 K , (3)

51


Te,i (r , z , t r

)
r =0

=0,

Te ,i (r , z , t z

)
z =0

=0,

Te,i (R

max

, z , t ) = Te,i (r , Z

max

, t ) = T0 (4)



(1) ­ (4) O ( ht2 + hr2 + hz2 ) [4].

.1. OZ & & ( 1 - r = 0, 2 - r = 25, 3 - r = 50 ) () ()

t = 6 â 10

-15

c.

.1. OZ . , . ( ), .. 10 (.1.).
700 . . : 1. . 2. , , , . , 06-01-00228 05-01-00645-. [1] . . , 2006, .3, 1(130), .63-75. [2] .., .., .. . , 1959, .6, .391-402. [3] Biersack J.P., Haggmark L.G. A Monte Carlo Computer Program for the Transport of Energetic Ions in Amorphous Targets. Nucl. Instr.and Meth.in Phys.Res.,1980, B174, pp.257-269. (http://www.srim.org) [4] .., .. . .: , 1989, .372-373.
HU UH

52


, ..-.. , , E-mail: andrey@kemsu.ru
HU U

( ). . , ­ , , . (Ag, Pd, Ni, Cu), . () , . , , . , . - , 500 800 å. , . 300 0 , . -. 25300 0. , . " " 1s . O 1s 529-530 2 1s ~ 530 . 100-150 0 2- - 1s 529 . 150 0 . , , , 4d- -, 3d- . 3d5/2 50-80 368,4 . , 3d5/2 , - M5VV, , 4d-, 53


. 3d- . .

54