Современные методы исследования и описания кристаллических структур - u045

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2. >\b`_gb_ we_dljhgh\ \ we_dljhgghf imqd_ fh`_l oZjZdl_jbah\Zlvky

lZdbfb ^ebgZfb \heg we_dljhgZ λe dhlhju_ ]hjZa^h f_gvr_ q_f ^ey

j_gl]_gh\kdbo emq_c K-k_jbb Kh]eZkgh mjZ\g_gbx >_ ;jhcey1 :

λ e =	h	= 1 ,2 3	gf
	2 m eU	U

]^_ h - ihklhyggZy IeZgdZ m b e - fZkkZ b aZjy^ we_dljhgZ

U - gZijy`_gb_ \ \hevlZo

Ijb h[uqgh ijbf_gy_fhf gZijy`_gbb U = 40 - d< λe = 0,005 ± gf l _ ijZdlbq_kdb \ jZa f_gvr_ ^ebgu \hegu ^ey baemq_gby Cu Kα1 Wlhl nZdl ^Z_l ke_^mxs__ ij_bfms_kl\h < lh \j_fy dZd j_gl]_gh\kdbc f_lh^ \ ijbf_g_gbb d djbklZeeblZf jZaf_jhf [he__ gf \ ihi_j_qgbd_ _s_ ^Z_l j_adb_ ebgbb b jZkrbj_gbb ebgbc gZqbgZ_lky ijb L ≈ 50 - gf \ we_dljhgh]jZnbb jZkrbj_gb_ fh`_l klZlv aZf_lguf ebrv ijb L ≈ 2 - gf l _ ijb jZaf_jZo ijZdlbq_kdb \ jZa f_gvrbo q_f \ j_gl]_gh]jZnbb

3. Ijb ihfhsb we_dljhgh]jZnbb klZgh\blky hkms_kl\bfuf bkke_^h\Zgb_

aZjh^ur_c gh\uo nZa Kh\hdmighklv mdZaZgguo \ur_ hkh[_gghkl_c ^_eZ_l we_dljhgh]jZnbq_kdbc f_lh^ hkh[_ggh p_gguf ^ey bkke_^h\Zgby ijhp_kkZ h[jZah\Zgby gh\uo nZa dh]^Z \ ih\_joghklguo kehyo kms_kl\mxl ebrv mevljZfbdjhdhebq_kl\Z ihebdjbklZeeh\ gh\hc nZau lhesbgZ kehy - gf b djbklZeeu bf_xl fZeuc ihi_j_qgbd < wlhf kemqZ_ bgl_gkb\ghklv j_gl]_gh\kdbo j_ne_dkh\ gbqlh`gZ b y\ey_lky khihklZ\bfhc ih \_ebqbg_ k bgl_gkb\ghklvx nhgZ j_gl]_gh]jZffu we_dljhgh]jZffZ `_ ihdZau\Z_l j_adb_ ebgbb

4. <iheg_ \hafh`gh bkke_^h\Zgb_ iheh`_gby e_]dbo Zlhfh\ \ djbklZeebq_kdhc

j_r_ld_ ^Z`_ lZdbo dZd \h^hjh^ Hkh[_ggh bgl_j_kgu_ j_amevlZlu [ueb ihemq_gu \ wlhf gZijZ\e_gbb kh\_lkdbf bkke_^h\Zl_e_f ; D <Zcgrl_cghf <ujZsb\Zgb_ fhghdjbklZeeh\ ihemijh\h^gbdh\ hq_gv

1 >_ ;jhcev Emb j - njZgpmakdbc nbabd H^bg ba hkgh\hiheh`gbdh\ d\Zglh\hc f_oZgbdb <u^\bgme b^_x h \hegh\uo k\hckl\Zo fZl_jbb EZmj_Zl Gh[_e_\kdhc ij_fbb

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qZklh hkms_kl\ey_lky \ mkeh\byo ih^Zqb \h^hjh^Z \ kbkl_fm <hijhk h \hafh`ghklb

©aZklj_\Zgbyª \h^hjh^Z \ j_r_ld_ hkh[_ggh \ ijbih\_joghklguo kehyo \_kvfZ \Z`_g

ijb ijZdlbq_kdhf bkihevah\Zgbb djbklZeeh\ \ ijb[hjZo fbdjhwe_dljhgghc

ijhfure_gghklb

5. Bgl_gkb\ghklv we_dljhggh]h emqZ ]hjZa^h [hevr_ Z wdkihabpby ]hjZa^h

f_gvr_ q_f ^ey j_gl]_gh\kdbo emq_c Wlhl nZdl ^Z_l k_jv_agu_ ij_bfms_kl\Z \ hj]ZgbaZpbb f_lh^bdb wdki_jbf_glZ b ih\ur_gbb lhqghklb b wdkij_kkghklb j_]bkljbjmxsbo mkljhckl\

1.6. G?CLJHGH=J:NBQ?KDBC :G:EBA KLJH?GBY

DJBKL:EEBQ?KDBO N:A

;mjgh_ jZa\blb_ Zlhfghc l_ogbdb iha\hebeh k gZqZeZ -o ]h^h\ ihemqZlv ba y^_jguo j_Zdlhjh\ fhsgu_ imqdb g_cljhgh\ Ijb wlhf hdZaZehkv ijZdlbq_kdb j_Zevguf ihemq_gb_ fhghojhfZlbq_kdbo imqdh\ f_^e_gguo g_cljhgh\ k wg_j]byfb dhlhju_ wd\b\Ze_glgu h[eZklb ^ebg \heg ≈ 0 gf Djb\u_ ki_dljZevgh]h jZkij_^_e_gby bgl_gkb\ghklb g_cljhgh\ \uoh^ysbo ba j_ZdlhjZ bf_xl jy^ ibdh\ l _ baemq_gb_ ^Ze_dh g_ fhghojhfZlbqgh Ihwlhfm \ hlebqb_ hl j_gl]_gh]jZnbb ]^_ lhevdh \ kemqZ_ hq_gv lhqguo beb ki_pbZevguo jZ[hl ijbf_gyxlky djbklZeeu-fhghojhfZlhju \ g_cljhgh]jZnbb ^ey \uj_aZgby gm`gh]h ibdZ lZdZy ij_pbabhggZy fhghojhfZlbaZpby g_h[oh^bfZ H^gZdh \ k\hx hq_j_^v wlh \e_q_l aZ kh[hc kms_kl\_ggu_ ihl_jb bgl_gkb\ghklb

<Z`gh_ \ qbklh wdki_jbf_glZevghf hlghr_gbb hlebqb_ g_cljhgh]jZnbb khklhbl \ lhf qlh ]hjZa^h e_]q_ hkms_kl\blv lhqgh_ dhebq_kl\_ggh_ Z[khexlgh_ Z g_ hlghkbl_evgh_ hij_^_e_gb_ bgl_gkb\ghklb j_ne_dkh\ ih qbkem g_cljhgh\ aZj_]bkljbjh\Zgguo kq_lqbdhf Ijb g_cljhgh]jZnbq_kdhf ZgZeba_ kms_kl\m_l \hafh`ghklv ijh\_^_gby wdki_jbf_glZ k ^ebgZfb \heg ihjy^dZ gf imqdb g_cljhgh\ fhghojhfZlbabjh\Zggu_ fhghdjbklZeeZfb ]_jfZgby lh]^Z dZd \ j_gl]_gh]jZnbb k ^ebggh\hegh\hc klhjhgu ijboh^blky h]jZgbqb\Zlvky baemq_gb_f ojhfZ λ = gf

JZkk_ygb_ g_cljhgh\ lZd`_ dZd b j_gl]_gh\kdbo emq_c bf__l ^\_ khklZ\eyxsb_ -

dh]_j_glgmx b g_dh]_j_glgmx >ey kljmdlmjguo bkke_^h\Zgbc \Z`gZ i_j\Zy khklZ\eyxsZy

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G_cljhgh]jZnby g_ fh`_l \ p_ehf aZf_gblv j_gl]_gh]jZnbx gh \ g_dhlhjuo \Z`guo kemqZyo iha\hey_l ihemqblv ^Zggu_ dhlhju_ g_ fh]ml [ulv mklZgh\e_gu j_gl]_gh]jZnbq_kdb >ey lh]h qlh[u ijhykgblv ki_pbnbq_kdb_ \hafh`ghklb g_cljhgh]jZnbb g_h[oh^bfh ihgylv hkgh\gu_ jZaebqby f_`^m f_oZgbafhf jZkk_ygby j_gl]_gh\kdbo emq_c b g_cljhgh\ \ djbklZeebq_kdhc j_r_ld_

1. :fieblm^Z b dh]_j_glgh]h jZkk_ygby g_cljhgh\ g_ aZ\bkbl hl Zlhfgh]h ghf_jZ Z lh]^Z dZd \ kemqZ_ j_gl]_gh\kdbo emq_c nmgdpby Zlhfgh]h jZkk_ygby jZkl_l k

m\_ebq_gb_f qbkeZ Z .

2. G_cljhgu jZkk_b\Zxlky y^jZfb Zlhfh\ \ lh \j_fy dZd jZkk_ygb_ j_gl]_gh\kdbo emq_c hkms_kl\ey_lky lhevdh we_dljhgZfb Zlhfh\ jZkk_ygb_ y^jhf gbqlh`gh

3. Ihkdhevdm g_cljhg h[eZ^Z_l fZ]gblguf fhf_glhf lh \ hlebqb_ hl

j_gl]_gh]jZnbb g_cljhgh]jZnby iha\hey_l hoZjZdl_jbah\Zlv kljh_gb_ fZ]gblghc yq_cdb djbklZeebq_kdhc j_r_ldb \ wlhf kemqZ_ gZ \aZbfh^_ckl\b_ g_cljhgh\ k y^jZfb Zlhfh\ gZdeZ^u\Z_lky \aZbfh^_ckl\b_ bo fZ]gblguo fhf_glh\ k fZ]gblgufb fhf_glZfb ZlhfZ \ p_ehf

4. JZkk_ygb_ g_cljhgh\ g_ aZ\bkbl hl [jw]]h\kdh]h m]eZ lh]^Z dZd jZkk_ygb_

j_gl]_gh\uo emq_c hl g_]h aZ\bkbl

Ba \k_]h \ur_kdZaZggh]h \ul_dZ_l hq_gv \Z`gh_ k\hckl\h нейтронографии. Bahlhiu

h^gh]h b lh]h `_ we_f_glZ fh]ml bf_lv jZagu_ wnn_dlb\gu_ k_q_gby

jZkk_ygby, qlh iha\hey_l b^_glbnbpbjh\Zlv iheh`_gb_ jZaebqguo bahlhih\ \ djbklZeebq_kdhc j_r_ld_

Bkihevah\Zgb_ g_cljhgh]jZnbb ^ey bamq_gby djbklZeebq_kdbo kljmdlmj fh`_l ijb\_klb d ihemq_gbx j_amevlZlh\ dhlhju_ [ueb g_^hklb`bfu j_gl]_gh\kdbfb f_lh^Zfb

1. Hij_^_e_gb_ iheh`_gbc e_]dbo Zlhfh\ \ djbklZeebq_kdhc j_r_ld_ Ijb ihfhsb g_cljhgh]jZnbb gZijbf_j [ueZ mklZgh\e_gZ kljmdlmjZ ^b^_cl_jb^Z pbjdhgby ZrD2.

2. OZjZdl_jbklbdZ kl_i_gb mihjy^hq_gghklb djbklZeebq_kdbo kljmdlmj < kieZ\_ FeCo, hlh``_gghf gb`_ ]jZ^mkh\ K ijb ihfhsb g_cljhgh]jZnbb [ueh mklZgh\e_gh qlh kljmdlmjZ lbiZ CsCl ( Pm3m ) h[jZam_lky k [hevr_c \_jhylghklvx q_f W ( Im3m ) Z agZqbl b kl_i_gv [_kihjy^dZ mf_gvrZ_lky

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Ih^h[gh_ aZdexq_gb_ \\b^m [ebahklb agZq_gbc Z g_evay mklZgh\blv j_gl]_gh]jZnbq_kdb

Bkke_^h\Zgb_ djbklZeebq_kdhc kljmdlmju n_jjhfZ]gblguo b Zglbn_jjhfZ]gblguo \_s_kl\

<HIJHKU >EY K:FHDHGLJHEY D =E:<?

1.DZdh_ baemq_gb_ gZau\Z_lky j_gl]_gh\kdbf"GZah\bl_ _]h k\hckl\Z

2.H[tykgbl_ ijbjh^m \hagbdgh\_gby j_gl]_gh\kdh]h baemq_gby knhjfmebjmcl_ aZdhg Fhaeb

3.H[tykgbl_ wdki_jbf_glZevgu_ b l_hj_lbq_kdb_ ijbgpbiu j_gl]_gh]jZnb-q_kdh]h ZgZebaZ djbklZeebq_kdbo kljmdlmj

4.< q_f khklhbl kmlv \u\h^Z mjZ\g_gby <mevnZ - ;jw]]Z

5.Qlh lZdh_ ihjy^hd ki_dljZ"

6.Bah[jZabl_ ijbgpbibZevgmx ko_fm mkljhckl\Z ZiiZjZlZ ^ey j_gl]_gh]jZnbq_kdbo bkke_^h\Zgbc djbklZeeZ b djZldh hibrbl_ __

7.DZdb_ ijhp_kku ijhbkoh^yl ijb h[emq_gbb \_s_kl\Z j_gl]_gh\kdbf baemq_gb_f"

8.DZd ijhba\h^blky j_]bkljZpby j_gl]_gh\kdbo emq_c jZkk_ygguo bkke_^m_fuf h[jZaphf"

9.< q_f khklhbl kmlv b aZ^Zqb j_gl]_gh\kdh]h kljmdlmjgh]h ZgZebaZ"

10.DjZldh ihykgbl_ \ q_f khklhbl kmsghklv f_lh^Z EZmw

11.DjZldh ihykgbl_ \ q_f khklhbl kmsghklv f_lh^Z dhe_[Zgby b \jZs_gby

12.Knhjfmebjmcl_ aZ^Zqb f_lh^Z j_gl]_gh]jZnbq_kdh]h ZgZebaZ ihebdjbklZeebq_kdbo

h[jZaph\

13.DZd ijhba\h^blky b^_glbnbdZpby nZa ijb j_gl]_gh\kdhf ZgZeba_ ihebdjbklZeebq_kdbo h[jZaph\"

14.GZah\bl_ hkh[_gghklb f_lh^Z we_dljhgh]jZnbq_kdh]h ZgZebaZ

15.DZdb_ ij_bfms_kl\Z bf__l f_lh^ g_cljhgh]jZnbq_kdh]h ZgZebaZ b k q_f wlh k\yaZgh ?

=E:<: KH<J?F?GGU? F?LH>U HIBK:GBY

DJBKL:EEBQ?KDBO KLJMDLMJ

FH>?EB DJBKL:EEBQ?KDHC KLJMDLMJU <?S?KL<:

Ihemqb\ ij_^klZ\e_gb_ h[ hkgh\guo gZijZ\e_gbyo j_gl]_gh]jZnbq_kdh]h ZgZebaZ djbklZeebq_kdbo \_s_kl\ ^_lZevg__ hklZgh\bfky gZ djbklZeebq_kdhf khklhygbb \_s_kl\Z Ijb wlhf \ i_j\mx hq_j_^v g_h[oh^bfh jZah[jZlvky \ lhf qlh h[uqgh

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ihgbfZxl ih^ djbklZeebq_kdhc kljmdlmjhc D gZklhys_fm \j_f_gb wdki_jbf_glZevguf iml_f gZdhie_gu k\_^_gby h kljh_gbb ^_kyldh\ lukyq jZaghh[jZaguo \_s_kl\ b wlZ [ZaZ ^Zgguo [ukljh ihihegy_lky H^gZdh ij_`^_ \k_]h g_h[oh^bfh

ihfgblv h lhf qlh dhgdj_lgh_ hibkZgb_ dZdhc-eb[h

kljmdlmju fh`gh ^Zlv ebrv \ nhjf_ fh^_eb [he__ beb f_g__ hljZ`Zxs_c gZrb ij_^klZ\e_gby h[ h[t_dl_ bkke_^h\Zgby D kh`Ze_gbx wlZ g_ba[_`gh ijb[eb`_ggZy fh^_ev m`_ aZeh`_gZ \ ljZdlh\dm wdki_jbf_glZ b qlh [he__ \Z`gh - \ khagZgb_ bkke_^h\Zl_ey ijbq_f gZklhevdh ]em[hdh qlh bgh]^Z \hagbdZ_l hiZkghklv g_hijZ\^Zgghc Z[khexlbaZpbb kljmdlmjguo ^Zgguo KijZ\_^eb\h iheZ]Zy mklZgh\e_ggmx kljmdlmjm wdki_jbf_glZevguf nZdlhf

l_f g_ f_g__ ke_^m_l ihfgblv qlh wlhl nZdl ihemq_g gZ hkgh\_ hij_^_e_gguo l_hj_lbq_kdbo ij_^klZ\e_gbc Kh \j_f_g_f wlb ij_^klZ\e_gby f_gyxlky ke_^h\Zl_evgh

^he`gu baf_gylvky b wdki_jbf_glZevgu_ nZdlu Ihwlhfm b k ijbgpbibZevghc b k ijZdlbq_kdhc lhq_d aj_gby \Z`gh ]em[hdh ihgbfZlv

kmsghklv ijb[eb`_gbc dhlhju_ e_`Zl \ hkgh\_ bkihevam_fhc l_hj_lbq_kdhc fh^_eb

Ijb\_^_f djZldbc ZgZeblbq_kdbc h[ahj hkgh\guo fh^_e_c kljmdlmj bkihevam_fuo \ djbklZeehobfbb

2.2. KL:LBKLBQ?KDB? FH>?EB KLJMDLMJ

K ihfhsvx kh\j_f_gguo wdki_jbf_glZevguo f_lh^bd j_gl]_gh-kljmdlmjgh]h ZgZebaZ fh`gh h^gh\j_f_ggh ihemqZlv k\_^_gby h kj_^g_f \h \j_f_gb jZkiheh`_gbb Zlhfh\ \ h[t_f_ djbklZeebq_kdh]h \_s_kl\Z Z lZd`_ h ^bgZfbd_ bo l_ieh\uo dhe_[Zgbc H^gZdh \ [hevrbgkl\_ jZ[hl

^bgZfbq_kdb_ oZjZdl_jbklbdb l_ieh\uo dhe_[Zgbc Zlhfh\ g_ h[km`^Zxlky NZdlbq_kdb wlh hagZqZ_l qlh jZkkfZljb\Z_fu_ fh^_eb hlghkylky d jZajy^m

klZlbq_kdbo < klZlbq_kdhc fh^_eb djbklZeebq_kdhc kljmdlmju bf__lky g_kdhevdh mjh\g_c lZ[ebpZ

LZ[ebpZ KlZlbklbq_kdZy fh^_ev djbklZeebq_dhc kljmdlmju

Lbi fh^_eb	I_j\bqgZy ljZdlh\dZ	HibkZgb_
r - fh^_ev	---	{ R } + { rj } + N

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lhq_qgZy			j = 1,2 ... N/k
r’- fh^_ev
lhq_qgh-rljboh\Zy ]jZn		\Ze_glgZy k\yav	+ { ij }
rZjh\Zy		djbklZeehobfbq_kdb_	rZjh\u_ miZdh\db b
		jZ^bmku	deZ^db
r, ρ- fh^_ev
we_dljhggZy iehlghklv		---	+ ρ ( r )
r’, δρ - fh^_ev		\Ze_glgu_ b g_ih^_e_g-
^_nhjfZpbhggZy	we_dljhggZy	gu_ we_dljhggu_ iZju	+ δρ ( r )
iehlghklv		i_j_ghk aZjy^Z iheyjb-aZpby
		Zlhfh\ b bhgh\

< jZfdZo lhq_qghc r - fh^_eb kh^_j`Zlky ^Zggu_ h iZjZf_ljZo j_r_ldb fZkkb\ {

R } - j_i_j j_r_ldb jZ^bmk-\_dlhju rj dhhj^bgZlu Zlhfh\1 b ijhkljZgkl\_ggmx

n_^hjh\kdmx ]jmiim kbff_ljbb N, dhlhjZy iha\hey_l kqblZlv g_aZ\bkbfufb lhevdh

N/k Zlhfh\, ãäå N - qbkeh Zlhfh\ \

1 Iheh`_gb_ dhhj^bgZlu ex[h]h maeZ \ ijhkljZgkl\_gghc j_r_ld_ hij_^_eyxlky jZ^bmkhf-\_dlhjhf rj ijh\_^_ggufba gZqZeZ dhhj^bgZl ijbq_f rj = ma + nb + pc, ]^_ a, b, c - kbkl_fZ [Zabkguo \_dlhjh\ ih dhhj^bgZlguf hkyf OX, OY b OZ khhl\_lkl\_ggh m, n, p - ljb qbkeZ gZau\Z_fuo bg^_dkZfb maeZ

we_f_glZjghc yq_cd_ k - nZdlhj kbff_ljbb 1.

< lZdhf \b^_ h[uqgh [u\Zxl ij_^klZ\e_gu hkgh\gu_ wdki_jbf_glZevgu_ j_amevlZlu j_gl]_ghkljmdlmjgh]h ZgZebaZ Ih wlbf ^Zgguf fh`gh hij_^_eylv agZq_gby f_`iehkdhklguo b f_`Zlhfguo jZkklhygbc NZdlbq_kdb lZdZy fh^_ev hdZau\Z_lky fZeh bgnhjfZlb\ghc < kemqZ_ [he__ keh`ghc kljmdlmju hgZ ij_^klZ_l dZd oZhlbq_kdh_ gZ]jhfh`^_gb_ lhq_d ba dhlhjh]h ^hklZlhqgh ljm^gh ba\e_qv ihe_agmx bgnhjfZpbx

>ey jZkrbnjh\db lZdbo kljmdlmj g_h[oh^bfh ijbf_gylv hkgh\gu_ iheh`_gby mq_gby h obfbq_kdhc k\yab qlh ijb\h^bl d ihy\e_gbx r’ - fh^_eb

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Ijb gZebqbb gZijZ\e_gguo dh\Ze_glguo k\ya_c i_j\bqgZy ljZdlh\dZ khklhbl \ lhf qlh Zlhfu kh_^bgyxl \Ze_glgufb rljboZfb \ ^mo_ deZkkbq_kdhc l_hjbb kljh_gby

LZd ihemqZ_lky lhq_qgh-rljboh\Zy fh^_ev b __ hibkZgb_ ^hihegy_lky fZkkb\hf dhhj^bgZl jZkiheh`_gby dh\Ze_glguo k\ya_c <_ebqbgu f_`Zlhfguo jZkklhygbc h[uqgh mdZau\Zxl ijZ\bevguc kihkh[ ihkljh_gby \Ze_glguo rljboh\ dZd ijZ\beh

jZkklhygb_ : - <

khhl\_lkl\mxs__ dh\Ze_glghc k\yab ih djZcg_c f_j_ \ jZaZ dhjhq_ q_f djZlqZcr__ jZkklhygb_ f_`^m \Ze_glgh g_k\yaZggufb ZlhfZfb : b < b wlhl kihkh[ m^h\e_l\hjbl_evgh kh]eZkm_lky k deZkkbq_kdhc l_hjb_c obfbq_kdhc k\yab

M`_ k kZfh]h aZjh`^_gby gZqZeh -o ]h^h\ OO \_dZ j_gl]_ghkljmdlmjguc ZgZeba \ dZq_kl\_ hkgh\gh]h j_amevlZlZ ^Z\Ze bgnhjfZpbx h jZkij_^_e_gbb we_dljhgghc iehlghklb ρ(r) ih yq_cd_ djbklZeeZ H^gZdh gbadZy lhqghklv baf_j_gbc hlkmlkl\b_ l_hj_lbq_kdbo jZajZ[hlhd dhlhju_ iha\heyxl mq_klv kbkl_fZlbq_kdb_ hrb[db ijb\h^beb d agZqbl_evghfm h]jm[e_gbx wlhc nmgdpbb qlh ^hklh\_jgufb hdZau\Zebkv ebrv dhhj^bgZlu fZdkbfmfh\ we_dljhgghc iehlghklb dhlhju_ ijbgbfZebkv

b ijbgbfZxlky ihgug_ aZ dhhj^bgZlu Zlhfh\ H[uqgh dhhj^bgZlu wlbo fZdkbfmfh\

aZ bkdexq_gb_f Zlhfh\ \h^hjh^Z fZeh q_f hlebqZxlky hl kj_^gbo \h \j_f_gb dhhj^bgZl y^_j Zlhfh\ ^Zggu_ h dhlhjuo ihemqZxl ijb

1 Kh\hdmighklv \k_o we_f_glh\ kbff_ljbb ^Zgghc djbklZeebq_kdhc j_r_ldb

ihfhsb g_cljhgh]jZnbb

JZa\blb_ j_gl]_ghkljmdlmjgh]h ZgZebaZ k^_eZeh [he__ lhqgufb ihemqZ_fu_ ba ^bnjZdpbhgguo ^Zgguo dZjlbgu jZkij_^_e_gby we_dljhgghc iehlghklb ρ(r). < blh]_ klZeZ ^hklmighc r,ρ - fh^_ev mqblu\ZxsZy Z^_d\Zlgu_ j_Zevghklb hkh[_gghklb nmgdpbb

ρ(r). >ey lh]h qlh[u ij_^klZ\blv bgnhjfZpbx \ [he__ y\ghf \b^_ bkihevamxl ihkljh_gb_ lZd gZau\Z_fhc ©^_nhjfZpbhgghcª we_dljhgghc iehlghklb δρ(r), dhlhjZy

ij_^klZ\ey_l kh[hc jZaghklv
δρ(r) = ρ(r) - ρ0(r) ,	( 2.1 )

]^_ ρ0 - we_dljhggZy iehlghklv \Ze_glgh g_k\yaZgguo Zlhfh\

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LZdbf h[jZahf nmgdpby δρ(r) ihdZau\Z_l dZdb_ baf_g_gby ijhbkoh^yl \ we_dljhgghc iehlghklb Zlhfh\ \ j_amevlZl_ h[jZah\Zgby obfbq_kdbo k\ya_c

jbk >ZggZy nmgdpby iha\hey_l mklZgh\blv \Ze_glgu_ b g_ih^_e_ggu_ we_dljhggu_ iZju i_j_ghk aZjy^Z iheyjbaZpbx Zlhfh\ b bhgh\ qlh iha\hey_l km^blv h ki_pbnbq_kdbo hkh[_gghklyo dZd kljmdlmj k dh\Ze_glgufb k\yayfb lZd b kljmdlmj \ dhlhjuo gZijZ\e_ggh_ f_`Zlhfgh_ \aZbfh^_ckl\b_ hlkmlkl\m_l < khq_lZgbb k r’ - fh^_evx©^_nhjfZpbhggZyªwe_dljhggZy

iehlghklv ^Z_l r’, δρ - fh^_ev dhlhjZy gZ k_]h^gyrgbc ^_gv ih \k_c \b^bfhklb ij_^klZ\ey_l kh[hc gZb\ukrbc ^hklmiguc mjh\_gv klZlbq_kdh]h \ZjbZglZ bah[jZ`_gby djbklZeebq_kdhc kljmdlmju

2.3. >BG:FBQ?KDB? FH>?EB KLJMDLMJ

J_amevlZlu j_gl]_ghkljmdlmjguo bkke_^h\Zgbc gZjy^m k ihabpbhggufb iZjZf_ljZfb kh^_j`Zl b ^bgZfbq_kdb_ oZjZdl_jbklbdb Mq_l wlbo oZjZdl_jbklbd ijb\h^bl d ihy\e_gbx ^bgZfbq_kdbo fh^_e_c kljmdlmj

< ijhkl_cr_f \ZjbZgl_ iheZ]Zy dhe_[Zgby Zlhfh\ ]Zjfhgbq_kdbfb ^hklb]Zxl lZd gZau\Z_fh]h ©Zgbahljhigh]h ijb[eb`_gbyªdhlhjh_ iha\hey_l ihkljhblv r, U - fh^_ev

< g_c Zlhfu ij_^klZ\e_gu g_ \ \b^_ g_ih^\b`guo

26

Jbk JZkij_^_e_gb_ ^_nhjfZpbhgghc we_dljhgghc iehlghklb \ f_`fhe_dmeyjghc \h^hjh^ghc k\yab ijbkmlkl\mxs_c \ djbklZeeZo α-]ebpbgZ NH2-CH2-COOH IhdZaZgZ qZklv k_q_gby ijhoh^ys_]h q_j_a ebgbx \h^hjh^ghc k\yab

lhq_d Z \ \b^_ weebikhb^h\ bo gZau\Zxl ©l_ieh\ufb weebikhb^Zfbª jbk

IZjZf_lju Uj kl ij_^klZ\eyxsb_ g_aZ\bkbfuo dhfihg_glh\ kbff_ljbqgh]h l_gahjZ

27

\lhjh]h jZg]Z oZjZdl_jbamxl nhjfm b hjb_glZpbx wlbo weebikhb^h\ b bf_xl ke_^mxsbc nbabq_kdbc kfuke k g_dhlhjhc nbdkbjh\Zgghc \_jhylghklvx j \ ex[hc fhf_gl \j_f_gb Zlhf gZoh^blky \gmljb beb gZ ih\_joghklb lZdh]h weebikhb^Z Hq_\b^gh qlh gZijZ\e_gb_ gZb[hevr_c \ulygmlhklb weebikhb^Z khhl\_lkl\m_l gZijZ\e_gbx \ dhlhjhf Zlhf kh\_jrZ_l fZdkbfZevgu_ ih Zfieblm^_ dhe_[Zgby < [hevrbgkl\_ kemqZ_\ weebikhb^u ghjfbjh\Zgu gZ \_jhylghklv j = Ijb nbdkbjh\Zgghf agZq_gbb j jZaf_j weebikhb^Z dZd \b^gh gZ jbk aZ\bkbl hl l_fi_jZlmju

Mlhqg_gb_ kljmdlmju \ mkeh\byo Zg]Zjfhgbq_kdh]h ijb[eb`_gby ijb\h^bl d kms_kl\_gghfm mkeh`g_gbx fZl_fZlbq_kdh]h ZiiZjZlZ - ijboh^blky ijb\e_dZlv l_gahju lj_lv_]h b q_l\_jlh]h jZg]h\ LZdb_ jZkq_lu fh`gh hkms_kl\eylv lhevdh ^ey ijhkl_crbo kljmdlmj \ dhlhjuo Zlhfu aZgbfZxl qZklgu_ ihabpbb

GZ mjh\g_ ]Zjfhgbq_kdh]h ijb[eb`_gby fh^_ev fh`gh h[h]Zlblv ^h[Z\b\ d g_c dZjlm jZkij_^_e_gby we_dljhgghc iehlghklb qlh ijb\_^_l d

r, U, ρ - fh^_eb

<HIJHKU >EY K:FHDHGLJHEY D =E:<?

1.< q_f khklhbl kmlv klZlbklbq_kdbo fh^_e_c djbklZeebq_kdbo kljmdlmj

2.DZdb_ mjh\gb kms_kl\mxl ijb jZkkfhlj_gbb klZlbklbq_kdbo fh^_e_c djbklZeebq_kdbo kljmdlmj

3.Qlh lZdh_ dZjlZ we_dljhgghc iehlghklb"

4.GZah\bl_ ijbgpbibZevgu_ hkh[_gghklb ^bgZfbq_kdbo fh^_e_c djbklZeebq_kdbo kljmdlmj