MgO:Be !": #$ "%&' ( " )*+, &)$ % '":!"&-, )*+,! "&)'$ ," 1&& &") 2004
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- Τυρώ Φραγκούδης
- 6 χρόνια πριν
- Προβολές:
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1 - MgO:e!": #$ "%&' ( " )*+, &)$ % '":!"&-, )*+,! "&)'$ $''".#$ -/"/"*!$0 )$," && &") 004
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14 g g A, MHz A, MHz V OH &/*!$ &#&)- "& &!0 '" & "/&")& T 335 K.!!" /8') / % ' & ' '+&$, $! & ', %+*! *&# #/&)9 $!"") # "& (!)&!%&0" $ ( %#/ ',!"% () b, &% d nm. [L] 0 [Na] 0 "&+ &'!"%9"! 6,,+ '.$"+ $!,!//"&!!"&)$")&, L + O - Na + O -! "%"!"%. 3 # $ % "&/ 9/!,!%#+0! " %+/ &#&)-/ "& %, 0 '"! T 30 K T 90 K,! "%"!"% ' [L] 0 [Na] 0 "& %. 3&/"&+ [L] 0 [Na] 0 "& % (S ½, I L 3/, I Na 3/) &'!"%+ 8: g g A, MHz A, MHz P, MHz [L] [Na] !!" " $" % ' '+&$ ' "& %!" d L 0.47 nm d Na 0.86 nm. $"&+ %+-&*!+0 "& %, %+*!+ & (&//, «VrtualEPR Spectrometer», &'!"%+ &!. 4. [Na] 0.0 V OH V Intensty !. 4. $"& 3 V -, V OH, [L] 0 [Na] 0 "& % & *!" " 5$"& /(" ( ν 9.7 GHz. (" &% %'! $&!" " <00>. [L] 0 Magnetc feld, mt 4
15 ... V OH-e -%, &!" MgO! (& %+/ e 6+ %+&4 %!"")" #$ &")!$ ( %&!"" /" ') %& ')( % ( % [6] % ')( %, *! '%)/ "4" *4+/ (&." %+/ 5$"& '/. " ( 6+ )*+ $&!"+ &#/& / mm 3!! '&8/ 6+*+0 &/!, (Fe 3+, Cr 3+ ".'.) 0 ppm. 3&6#"! '&8 e + % $&!" &% 00 ppm. 3! 6)* $&!" &"( %!$/ #)*/,!. &/& %! &/("+, "&, )!",*%+, & $ /", V OH-e "/&")&. "& )* 6 #* V OH-e &'!"%"! 6,,+, '.$" $!,!//"&!')94,!"&)$")&+: e + Intensty O - v c H + O -. &!. 5 / 8 %'" 3!$"& ' ( Magnetc Feld, mt!. 5. V OH-e "& & &% /(" ( %'! " <00>. "&. 3& /(" /, &'$)& /! '.$"!$"&!!" " # 5, (% *!"), 6&# %+0 8/ -0 (&),,!'%)"+0 '&)( "!" '&)( 0.07 mt, $8' # $ " &+0!!" " %!% 9 *&' # 4-0,! Magnetc feld, mt &!4/ %.046 MHz (0.07 mt). 3& & / 8 &% /(" ( Degrees!. 6. ( % #%!/!"!$"& 3 V OH-e "&. ( % & " 8" %!$!" {00} ". (&% *!"),!$"&!!" " # -0,!!'%( / % 0.86 mt, $8' # $ " &+0 &'!"%"! 6, 8 4-0,! )%+/ &!4/. 3 '"%&8'/ " /) / 8"!)8" )( % #%!/!"!$"& 3 &!. 6. 5
16 $ %'!$"& 3 6:!" '+&$ ( S ), $# %, $! & ',! '& / % ' & ' # OH (&)+ ( I H ) '& / 6& e + 3 ( I e ). 3&/"&+ V OH-e "&!')94: "& g V OH-e g '& A, MHz A, MHz P, MHz H e * # "&, # "&, $!"" ' 6&!')94: a e. 34MHz, b e 0. 67MHz. * # "&, $!""+ &'" "!" %#/ ',!"%)940 5$"& % ' / '&, ".. % -/!)* "!" '+&$ '& 6&. &%% )*)9 %*) # "&, $!"", a e! " &"*!$, ' &6" e s (45.6 MHz [9]), / 8!'" %+% ', *" % 5", &6" % %)9.)$9 '.$" * /, *" ( % &" «8!"$,» $# '+&$ $! & '. $ $# '+&$, '" / % #/ 8!" &!!/"&%" '+&$ 6& $$ )' ' -' %#/ ',!"%. "$ /!)*,! #) # "& )9 $!"") b e, / 8 &68 )#" &!!" /8') '+&$, 6&/. &/) r g eβ N g eβ 3 m, *" '" / r! 0.55 nm! 0.6a 0, (' a 0 3hb e, e!" &-"$ MgO... /+ )*/, *" 6&!/4 # "& ( 8 $&!"*!$, &-"$, *"! #'" 5$"&*!$, ',!"6#&)94, '+&$) )%*%94, &#) /8')! %+/ % #6)8'+/ &6"+/ )& %/ 5&(. +- &%'+ %+*! '"%&8'9"! 5$!&/", / : V OH-e / 8 69'" & $ /", "/&")&, "&/*!$ &#&)- "& &!0 '" & T 400 K... [e] + -%,... '% 3& 6)* MgO:e &"( %!$/ #)*/ & "/&")& T 77 K, 6&#)"! %+, &/("+, "&,!"6+, & #$0 "/&")&0 ($ "&/ 9/!,!%#+,! " %+/ &#&)-/ "&, 0 '"! T 60 K), 3!$"& $ " & ( 69'"! & "/&")&0 " 40 K 8. 3 )*+, 6
17 "&!" 6:$" /!!' % ', &6 "+, % 0 ' $ " & ( 6+ %+%!"&)$")& &/(" ( "& &'+ &/"&+ (!-/" /0#/ &$!.... 3!#/%, * &$5,,. 3!$"& 6&)8 ( "& #/&!!$"& /"& / X-'# (9.98 GHz) ERS 3. 3& " *+, (%+, $&!"" (Oxford Instruments, ESR900) 6+! # % ' ''&8 )8, "/&")&+ $&!". #/&!!" # -0 *!",:. #/&!!$"& 3 & "/&")& 4 K & &#+0 &"0 $&!" "!" /(" ( "$/ 6&# / &'!"&)$")&) "& &/"&+ (!-/". #/& & % '! & / 4!" 5$"& /(" ( #)* P 0. mw.. #/&!!$"& 3 & &#+0 "/&")&0 $&!" ( " 5 K ' 4 K) &#+0 / 4!"0 % #6)8'94( &0 '+ 5$"& /(" ( #)* ( " µw ' 00 mw). #/& #/ -&+,!$"& 0 "!%!",, 6+ &$! "&. &'+ &/"&+ /0#/...,&3,& -%, * #%- /$5,% % %&/ 5$!&/",!!')/+, $&!" 6+ &! 8 %!$"& /"& "$, *" &%!""*!$ ( /(" ( &'$)& ( /) % #6)8'94( 5$"& /(" ( 6+ &%+ %'!, $&!" " <00>. 3& $8' / #/& $&!" % &*% )(+ α 5º %!$!" " {00}, % $ " &, 8!""*!$ /(". $"&+ ' )( % α 0º, 5º, 30º 45º &'!"%+ &!. 7. 3& ',-/ )%* )( α,!$"& &'!"%"! 6, #&$ "&8!/ (!6, $$! 6+ )( )/-!. $"&!"9 %" &"! $8'+ 90º. $ %'!$"& ( % &" ""&(,!//"&. 3& & #%, &" $&!" "!" /(" ( %!$!" {00}, 69'"! 6 (&),, $ " &+ 6 #*+ $$ -6 &!. 7.!!" /8') (&)/ % $8', & * /!" %"! /$!/+/ & α 45º (&/& 0.3 mt), *" ( % &"!$ & &" & /6*!$,!//"& "&, */ ""&(,, 0 " "$ " ""&(,!//"& /. 7
18 .0 α 0 o α 5 o Intensty Intensty Magnetc feld, mt Magnetc feld, mt α 30 o α 30 o Intensty Intensty #!$"& % &!. 7 )( %, #%!/!"!$"& &!. 8 %', *" % /(" / &!0 '" &!4 )& %, 5&( "& 8! %+0 )& %, &0 '+ /8') $ " &+/ '9" (&)) # 4!$"& 3. $ &!4 / 8 6:!"!%&0" $/ %#/ ',!"%/ '%)0! % S 3 I. *"+%!"&)$")&) $&!" MgO:e, / 8!'" &' 8, *" '& /!! / Magnetc feld, mt 3 I %"! '& e +, $ " & #/4" Mg +. &' g-.$" & "&, )*/ #* g xx.046, g yy.044, g zz.0044, *" ( % &" Magnetc feld, mt!. 7. 3!$"&+ $&!" MgO:e & 4. &% /(" (!!"%"!!9 " <00> )(+ α 0º, 5º, 30º 45º. 6 #*,4,,5 3,6! "%"!"%)9" (&) 4 % $8',, &' 6 5$%%"+0 8, "& & /(" /, 84/ %!$!" {00}. Magnetc feld, mt Degrees!. 8. ( % #%!/!"!$"& 3. (" /"! %!$!" {00}. 5 8
19 " /, *"!!')/+, "& '+& *+, (g > g e <.003). ' %", (! &!!/ "&+/ %+- "&/,! S &'!"%"! 6, '+&$), $# %)9 6#84/ $! & '. $/ 6&# /, /+ &0 '/ $!"&)$")& "& % %' e + - O -,,!' %", /+ // '! '+&$! '& / 6&. 3 (! [L] 0 [Na] 0 "&/,!!')/+, "& 6 #*"! $$ [e] + "&. "$,!"&)$")& "& ( % &" "$8 6#!" &/"& %!)&!%&0" $ ( &!4!!')/ ( "& (A xx.47 MHz, A yy.5 MHz, A zz 0 MHz)! "/ 8 &/"&/ V OH-e "& ( A e.085 MHz, A 0 MHz),!"&)$")& $ " & ( $$ 6+ &'!"%"! 6,!)//) [e] + "&! V OH "& /.,- $ /9"& 6&6 "$ &/"& % "& (!/)."()! / 49 «VrtualEPR Spectrometer» «EPR-NMR» & (&// - '"%&8'9" "$)9!"&)$")&) "&.!!"/+: $/ e 6&# /, /+ )*/!')94 %+&8 '!-/" H β gs ˆ + hsa ˆ Iˆ g β Iˆ + Iˆ e e %'&) %#/ ',!"% 6+ )*" &!/)."( &/"& %!-/", "$ $$ ( %*!-$ / /, *" 6+ %!" 0 " $$ -"!)4!"% #/ %!$"& (P 0.0 MHz [8]). "( &/"& %!- /"! / 49 «EPR-NMR» & (&//+ $#, *" (%+! '.$"! %'9"!!/ $&!", / :! X '.$" *"! %'"! &%/ <0> $&!", OX OZ 8" %!$!" {0} %&)"+.4º "!" <00> <0>,! "%"!"%, *" 5$%%" )(/,& α -.86º, β.4º, γ 45.8º. (+,& ' (%+0!, "# &!)&!%&0" $,!"&)$")&+ )*!!')94: α 89.3º, β 66.7º, γ 37.76º. &#)""+: # & %+ #* "# & % e N e e QIˆ e 64/,."( '!')94 (+,& xx yy zz α β γ g-.$" & º.4º 45.9º e +.64 MHz.49 MHz 0.08 MHz 89.3º 66.7º 37.76º... /,. /6 %/ $ 3! - +*! &/"& % /0#/ &$! %!! %, #'*,,! &' &/"& %!-/" "& [e] +. 0#/ &$!, $$ )8 %+- 6+!, &'"! %&// &$!!-! % (!- &-" * ( %#/ ',!"%, τ τ. 3 5" /), &%!", #'*, 5$!&/" 9
20 6+ &' #%!/!" %&/ &$! " "/&")&+,! *( &'! &/"&+ /0#/ &$!. $!&/" & % '! & 8 $&!", & $ " & /! $&!" " <00>!!"% )( α 45º! /(" /, $ " & 8 %!$!" " {00}. 7&, 0 "!%!" #/&! &%, '(&) # 4-0, # (&)+ (&!. 7). $, %+6 & 6+!' %!%#! 6 -, " *!"9, $ " &)9 '% 5" '(&) ' 6&6 "$ '+0. + #/&+ 3!$"&+ [e] + "& & "/&")&0 5. K, 7 K, 0 K, 5 K 4.4 K. $8', # "/&")& 6+ #/& 9 3!$"& % ' &#+0 / 4!", 5$"& /(" ( : µw, 6.3 µw, 0 µw, 63 µw, 00 µw, 630 µw, mw, 6.3 mw 0 mw. $!$"&+ 3 ' T 5 K &'!"%+ &!. 9. &' %&/ &$! '+&$, "&6 %! /$!/ " * #/& -&+ "!%!". " &"*!$ (."(, 3! # %! &% & #% '.)$ & ' ( 4: L0(, / 6( ) ) π[4( + (' 0 # /$!/)/ ( 4, / -& ( 4 % /$!/)/. $ $$ / #%!" &!!" /8') / % ', (&) ( &!4 '" #* &/& shf mt), 0 -& ' 8 6+" '$ % (&!4 " $ '& 6&), " %."(! # %!.)$, 6:'94 %! 4!&#): 0 0 ) / / L L0(, / ) + L0( + shf, / ) + L0( + shf, / ) + L0( + 3 shf, / ). ], 000 P 0.00 mw P mw P 0.0 mw P mw P 0. mw P 0.63 mw P mw P 6.3 mw P 0 mw Intensty Magnetc feld, mt!. 9. 3!$"&+ [e]+ "& & "/&")& T 5 K &#*+0 / 4!"0 5$"& /(" (. 0
21 $. &/)& %$ #'*."(, % -&%+0, )!$ &!/ &!!, % -%" &+0, ' 6 " *+, &#)"". "(!)4!"%! % & (&// Orgn. $ " &+ &#)""+."( &'!"%+ &! Expermental Theoretcal 000 Expermental Theoretcal Intensty 0 Intensty Magnetc feld, mt Magnetc feld, mt a) b) Expermental Theoretcal Experemntal Theoretcal Intensty Intensty c) d)!. 0. 3&/&+."(, 3!$"&. a) T 5. K, P 0.00 mw; c) T 0 K, P 0. mw b) T 7 K, P 0.0 mw; d) T 4.4 K, P 0 mw &'!"%+ % ', &6 " (&.$ "*9"! " *!"."(. *!" &' -&+!!"% &/& 0.8%, "!%!" &/&.5%. Magnetc feld, mt 7& "!%!", )*+ ' /-, / 4!",! "%"!"% /-, /")'+ /(", $ / "+ 5$"& /(" ( #)* 0, &'!"%9"! 6, 5$%%" " &"*!$ ( &' Magnetc feld, mt lm #*9", $$ %#/ ',!"%: I 0. 5" %*+, / 8 %+*!" %&/!-! % ( 0 / τ, s. γ lm γ 0 / 0 /
22 %+*! %&/!-&-" *, &$!, ' #" #*!+4 3 & &#+0 / 4!"0, $ " &+ / 8 %+*!"!')94,. &/): s( ) I / I / lm( I / ) I / 0 5" %*+, %+6&9" "$, & $ " &+0 / 4!" )8 '!"" * %+! $, / s( )!+4 4 /. 3! )!&' %* %+6&+/ #*/!+4, %&/!-&-" *, &$! / 8," #. &/)+ / s τ, s. 3&/& "$0 %+*!, &%' % "6 8 ' T 5 γ τ K. average P, mw /, mt I/ /s &' (/s - )/ τ, s τ, s ;0 9.88; ; &/& %+*! %&/!-! %,!-&-" *, &$! & T 5 K.!&' %*+ / s( ) 6+!'! #) %+'+ % "6 #* /s. * 0 %* / I 0 / 0 6+ %+6& &%+/ #* / 4!": 0 / mt, I 0 / mt -. + )*+!')94 #* %&/ &$!!-&-" * (!-! % ( %#/ ',!"%: T, K τ, s τ, s ; ; ; ; ; ; ; ; ; ;0-6 # "6+ %', *" %&/!-! %, &$! *" '$ %+ ' $8', "/&")&+. $ $$ '+, / /" " " &"*!$,. &/)+ ' #%!/!"!-! % ( %&/ &$!, " /+ &' (/, *"!"! #// "/&")&+. $/ 6&# /, τ.8"0-7 s. %!/!" %&/!- &-" *, &$! " "/&")&+ 6)'"! 8.
23 ..3. 4!&9% &$5,,'..3.. '%% )3!#/%, $5%.6,,+!36!#3,' & -, & %&$, &%!" &' 8, ( "#+ "!" &/"& %!"&)$")&+ 6&)8 ( &/(" ( "&, %"! % #/ 8!" " * ( " &"*!$ ( / '& % ( 3!$"& %, "..!/). 3& / 4 & (&//+ «VrtualEPR Spectrometer» 6+ & %'!/)!$"& 3 & &" $&!" α 0º, 5º, 30º 45º. &%"+ (&.$ &%'+ &! α 0 o Expermental Theoretcal 0.6 α 0 o Expermental Theoretcal 0.5 Intensty 0.0 Intensty α 5 o Magnetc feld, mt Magnetc feld, mt a) b) Theoretcal Expermental α 30 o Theoretcal Expermental Intensty 0.0 Intensty Magnetc feld, mt Magnetc feld, mt c) d) Intensty α 45 o Theoretcal Expermental!.. $!&/"+, " &"*!$, 3!$"&+ [e] + "& & &#*+0 &"0 $&!" "!" /(" (. a) α 0º; b) α 0º - )%* &'$)& (&); c) α 5º; d) α 30º; e) α 45º Magnetc feld, mt e) 3
24 # (&.$ % %'! "%"!"% " &"*!$0 '+0 5$!&/"+/, $& /!$"& % 3 ' 8 α 30º (&!., d). *%', *" ' ', &"!"&)$")&!$"& '$ %. #/ 8 &*! "%"!"% #$9*"! % " *, &" $&!" ' α 30º % %&/ 5$!&/". $ & %!(, $&!" 6+ %&)" )( *)" 6 -, 30º. $/ 6&# /, /+ )*/ '"%&8' &%'+0 %+- &/"& %!-/"!"&)$")&+ [e] +. 6&)8 ( &/(" ( "&..3..,&3,& -%, [e] + [e] + "& &'!"%" '.$"!!"&)$")&, e + O -. &'% $!""+ # "& ( # "& ( 5" ( "&, / 8 &'" )" *" &' &/"& %,!%#+0!!"&)$")&, "&.!"") # "& ( / 8,". &/) Axx + Ayy + Azz a, MHz, 3 *" '" #* a e.07 MHz. 3 )* %* / 8" 6+",' " &"*!$ #. &/)+ a 8 π h g N β N g eβ ψ (0), Hz, (' gn g-.$" & '&, g e g-.$" & 3!% 6 ' ( 5$"&, ψ (0) "!" 5$"&!!')/ / '&, ".. $!"" # "& ( $#+%" "!" '+&$ 6&. &%% )*)9 %*)! " &"*!$, (a0 e 45.6 MHz), )*/, *" % s- &6" 6& % %)9.)$9 '+&$ * / (a e /a0 e 0.004), *" ( % &" 8!"$, $# '+&$ $! & '. 0 8!" )* ( &#)""! (*+/ ' V OH-e "& 4 &# '"%&8'" &!")9 «&./"$)»: V OH-e [e] + + V OH. "$ /!)*, /+ / 8/ 8", *" &/"&!- &6" ( %#/ ',!"% λ ' [e] + V OH-e "& % '$ %. " '" / % #/ 8!" " &!!" /8')! %+/ &%+/ % #6)8'+/ &6"+/ )& %/ 5&( '+&$ #. &/)+ [e] + "& )*/ g λ, (' g g g!'%( g-.$" & "&. (', ' E e E [ e] + g V ( OH e) g E [ e] + V ( OH e). #% # &6 "+ [8] '+ ' V OH-e "&, )*/ eV E. 3eV
25 !%#! 8!"$, $#, '+&$ $! & ' ("$8 $$ ' V OH-e "&), /8') 6&/ '+&$, / 8 &!!/"&%" $$ )' ' - ' %#/ ',!"%. (' &!!" /8') '+&$, / 6& / 8 &'". &/) r e g eβ N g eβ 3, m, (' b e $!"" # "& ( 3hb e Axx + Ayy Azz b, MHz. 3 )*/ b e MHz, " (' r e! 0.99 nm! 0.7a 0, (' a 0 3!" &-"$ MgO a nm []. $/ 6&# /, /+ %'/, *" 6&!!/4 # "& ( 8 $&!"*!$, &-"$ %!" & ) " '+&$.!!/ "&/ /0#/ &$! 6& 6# )*" "/&")&+! / /" ( (& % % &-"$) MgO. $ &!!/ "&!", $ * 8, %&")+, 0&$"&, / 8" / 6! %" )*+ &#)""+. +, &')! 6& (0.059 nm) *" %.5 &# /- ( &')! /( (0.086 nm) [].!%#! 5"/, #/4 Mg +, 6&, %& ", «!$*"» # ' ( )(, #//, / #, % '&)(,, $$ $# &!. : ' e + 5" 5&("*!$ %+( ' % #/ 8 %!%#! /!"9 ( &')! & % «)()» )%*%" $)9 ")9 /) #-#! #' ( / %!%#!!/4/ ', %!'!"% *( &!0 '" $# '+&$ $! & ' % %&/ 6)* $&!" &"( %!$/ #)*/. "! #'" (&'" $) %!$ ( %'! " <00>, %!'!"% *( 6&, &$!&)" ()68 % «)(» %!" & ) " 5" ( $! & ' O «&+("»: - #/& $#+%9" "!)"!"% )!&',!$"& 3 & e + Mg + '" "/&")&+ $&!" ' "0 &, $!$"& 69'/ (&!. 3). O - <00>!.. $*$ 6&# %' e + % $&!" MgO. &,, $# «"&$" &» '%8 6& % )# &-"$. 5
26 8 $, '"%&8'"! $!"",!'%( 6& $$ # "& (, "$! %'/ (%+0!, '.$"!, $&!", )*+/! / 49."( «EPR- NMR» & (&//,: & 6&# % '.$"!, "!"!, $&!"! / 49 )( %,& ' (%+0!, g-.$" & ( α.86, β.4, <>. γ 45.9 )! (!)"!!!/4/ 6&! $&!" " "$, /+ )*/, *"!'%( 6&! "&, # % $&!"! #'" ', $ " &+,!% / / )%*%" &!!" /8')! %+/ % #6)8'+/ &6"+/ )& %/ 5&(!!"/+, "/!/+/, )'&8% '+&$) $! & '. Intensty /,. /6 %/ %* % :$3 " &"*!$, *!" &6 "+ 6+! /0#/ &$! & ( $, $ " &+, '" 6 -, %$' %!-&-" *)9 &$!9 &/(" ( "&. &/ &$! "$ ( /0#/!+%"!. &/), τ ( T ), s. hν n c a cth + bt + kt E exp kt [e] + "&, /+ / 8/ )!"" &!! &60 (3-, * %. &/)), %!%#! * 6 -/ &!!" / /8')! %+/ &%+/ % #6)8'+/ &6"+/ )& %/ 5&( '+&$: E!.3 ev % "$ /!)* / ( 6 - kt ~ 0-3 ev, "&", * )&%!"&/"! $ ) $/ 6&# /, ' [e] + "& %&/ &$! τ &'!"%"!. &/), τ ( T ), s. hν n a cth + bt kt Magnetc feld, mt T 3.9 K T 7.5 K T 6. K T K T 30 K!. 3. /&")& #%!/!" (&)+, 4 & α 45º " 3.9 K ' 30 K.
27 "( 5",. &/)+ ' )*+ %+- 5$!&/"+ '+, '!')94 #* ' &/"& % &$!: a! ± 6.899, b! ± , n 7. &!. 4 $# " &"*!$, (&.$ #%!/!" %&/!-&-" *, &$! " "/&")&+. # (&.$ %' 0 & -! %' 5$!&/"+0 " &"*!$0 '+0. &!. 5 &%'+!$ $!$"& % 3,!/)& %+0 & (&//, «VrtualEPR Spectrometer» ' &#+0 "/&")& / 4!", 5$"& /(" (, %!&%! 5$!&/"+/!$"&/. $ %' #!$"& %, " *!" )*+0 '+0 '!"" * %+! $. Spn-latce relaxaton tme τ, s Expermental Theoretcal Temperature T, K!. 4. &% " &"*!$, 5$!&/", #%!/!", %&/!-&-" *, &$!..0 T 5. K P 0. mw Expermental Theoretcal.0 T 0 K P 0.0 mw Expermental Theoretcal Intensty 0.0 Intensty Magnetc feld, mt Magnetc feld, mt.0 T 5K P 0.00 mw Expermental Theoretcal.0 T 4.3 K P 6.3 mw Expermental Theoretcal Intensty 0.0 Intensty Magnetc feld, mt Magnetc feld, mt!. 5. &% " &"*!$0 5$!&/"+0 3!$"& % & &#+0 "/&")&0 / 4!"0 5$"& /(" (. /) & %' & (&//, «VrtualEPR Spectrometer». 7
28 .3. '%%.+%.6 -%,' ' 3!, $$ MgO + &!!/ "&!$ $ '+& *+0 '.$" % % $&!" MgO. % ' "6 0 &/"& % &%' 8. "& '%( g-.$" &, g g g e!"" # "& ( a, MHz!"" # "& ( b, MHz!" /8') / '+&$, d, nm /&")& "&/*!$ ( &#&)- [e] [Na] [L] V OH V OH-e ' 6& e + + ' % ' & ' H T, K "&+ % "6 0 '"! % &'$ % #&!" 0 "/&")&+ &#&)-, '&)(/! %/, % &'$ )%* ()6+ ", /+, % $ " &, 0 '"! '+&$. +! $ "/&")& &#&)- V OH-e V OH "& %!%#! &!)"!"%/ $", %$! % 5"0 "&0, $ " & *! )%*%" ")9 /) '+&$ #-# $!$ /!& % ( "&" ( #&'. [L] 0 [Na] 0 "&0 %$! "!)"!"%)", "&! 0&"!"6!" " $ #-# $) %!$ ( %#/ ',!"%. 3 5" /) &#&)- 5"0 "& % &!0 '" & ( &#' #$, "/&")&, */ V OH-e V OH. [e] + "&, ',! #'+, #-# "& ( 8 6&,! #'" '!"" * ()6 $)9 ")9 /), $ " & $#)" '+&$) $! & '.!!&%" "/&")&) &#&)- [L] 0, [Na] 0 [e] + "& %, " / 8/!$#", *" ' % [e] + "& ',!"%)" '+&$) *" "$ 8, $$ $) %!$ %#/ ',!"% % [L] 0, [Na] 0 "&0. [e] + "& &'!"%"! 6+, "&! %!!' % % &! %" $# '+& $ % MgO, "$ $$!%,!"&)$")& 0 8!"&)$")&) % #/ 8, %" $# %, '+&$ % $&!": Mg + O -. / 6 -, "&! % #$" %!%#! "/, *" 6&, /$!/ &68 $ # 5$"&,! /(/!"&)$")& /" ") 8 %"!". '+, / /", /+ / 8/!$#"!')94: $# '+& $ % $&!"0 MgO % #/ 8 - " (', $ (' /"! $ '. &/ &-"$ &/!. $ '. &/ &/! 6&#)9" 8
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40 .0 P 0.00 mw P 0.0 mw P 0.0 mw P 0.63 mw 0.5 Intensty Magnetc feld, mt!. 8. %!/!"!$"& 3 " / 4!" & "/&")& T 5. K. &!" &"& % "$, *"!!"%" )( α 45º! &%/ /(" (, $ " & 8" %!$!" {00} $&!"..0 T 5. K T 7 K T 0 K T 5 K 0.5 T 4.3 K Intensty Magnetc feld, mt!. 9. %!/!"!$"& 3 " "/&")&+ & / 4!" P 0.0 mw. &!" &"& % "$, *"!!"%" )( α 45º! &%/ /(" (, $ " & 8" %!$!" {00} $&!". 40
41 &6 " &!' % '%, $ " &+ 6+ )!- %+ +:!!' % [e] + "&. &' &/"& % (!- /" &/"& % /0#/ &$! '+&$ %'.$". #' & (&//+!/) 3!$"& % «VrtualEPR Spectrometer», &'#*, '! # % $$ % )*6+0, "$ % )* '!" %& &', *" %+, &/("+, "&, 69'/+, % 6)* / $&!" MgO & #$0 "/&")&0, &'!"%"! 6, '+& *+, "&!"&)$")&+ e + - O -, )*%-, 6 #* [e] +. + &'+ &/"&+ (!-/" 6:! &* $# '+&$ $! & ': 6&!/4"! # "& ( 8 % $&!" MgO %!" & ) " '+&$ &%9 <> &!!" 0.7 "!", &-"$, *"! #'" ', $ " & ( )'&8%" '+&$). $8, 6+ &'+ &/"&+ /0#/ &$! '+&$ % "&, $ " &+ '"%&'!!/),!$"& & &#+0 "/&")&0 / 4!"0 5$"& /(" (. +! #' & (&//!/) 3!$"& % «VrtualEPR Spectrometer». #* * %$ % )*6+0 0, "$ $$, '+, / /", '!"% & (&//! )' 6+/ ('+/ "&.,! /. 3& (&// /" / 4+,.#$ - /"/"*!$, &", #% 94, %+*! &#! ( /(" (! * %+! $, " *!"9. 3& (&// #% " #/" $$ %- )! % 5$!&/" (/ 4!" *!" " 5$"& /(" (, "/&")& $&!" ( 8 % &!"&!"%), "$ %)"& &/"&+ '.$" % (&/"&+!- /" /0#/ &$!). $!" & (&// '9" "$.)$, $$: % #/ 8!" ' %&/,!/)!$"& % 3 ' &#*+0 '.$" % % $&!", *" '"!")9 3 «$&")» $&!"; % #/ 8!" #' &/"& % /0#/ &$! '.$", %!%#! 5"/ 69' #%!/!" " &"*!$ (!$"& " "/&")&+ $&!" / 4!" 5$"& /(" (. &&$"!" &6 "+ «VrtualERP Spectrometer» 6+ "4" & %& ' &%!0 '+, &#)"". 4
42 . -%*,.. # '" &, 00. &", 8., ", 8., $ % & &, 975, &(/,.,,. &, &, Henderson,., Wertz, J. E. Defects n alkalne earth oxdes Taylor&Francs 5. Chen, Y., Abraham, M. M. J. Phys. Chem. Solds 990, 5, Maaros, A. Trudy IF Akad. Nauk Est. SSR 98, 53, Kärner, T. et al. VOH-e a new and unusual member n the famly of V centers J. Phys. Condens. Matter 00, 4, !0,.! %&-!"% % EPR-NMR & (&//+ 6&6 "$!$"& % /(" ( &#!!!' % V OH-e "& % MgO:e &")!$, %&!"", Morton, J. R., Preston, K. F. J. Magn. Reson. 978, 30, Poole C. P., Jr. Electron Spn Resonance New-York, 996, Structure Prob. Inc, &&,. et al. 3!$ %" $# 5$"& % '+& $ % $&!"0 MgO, MgO:e, MgO:Ca Trudy IF Akad. Nauk Est. SSR 984, 55, Poole C. P. Jr., Farach H. A. Handbook of Electron Spn Resonance, volume New- York, 999, Wllam H. P. Numercal Recpes n C, nd edton Cambrdge Unversty Press, 999, (% 4
43 KOKKUVÕTE VrtualEPR Spectrometer ja tema kasutus MgO:e krstall nätel Käesolev töö järgs kahte eesmärk: MgO:e krstallde madalatemperatuurlsel krtamsel nes tekkvate paramagnetlste tsentrte ([e] + tsentrte) EPR uurmne, tsentr spnnhamltonaan nng augu relaksatsoonparameetrte määramne. Õppe- ja teadustööks mõeldud EPR spektrte smulatsoon programm VrtualEPR Spectrometer loomne nng katsetamne. Teht kndlaks, et uus paramagnetlne tsenter MgO:e krstalls kujutab endast auktsentrt struktuurga e + O, ehk lühdalt [e] +. Määrat selle tsentr spnn-hamltonaan parameetrd, ms võmaldas seletada augu e oon kõrval paknevale hapnku oonle lokalseerumse põhjust. Osutus, et [e] + tsentrs on e + oon nhutatud tugevast katoonvõresõlme tsentrst välja <> suunas nng pakneb lokalseerunud august 0,7 võrekonstand kaugusel. See nhe tektab katoonvõresõlmes dpool, mlle väl seobk augu. Samut määrat augu relaksatsoonmehhansm parameetrd, ms ledsd knntust tsentr EPR spektrte smuleermsel ernevate temperatuurde ja kõrgsagedusvälja võmsuste korral. Lood EPR spektrte smulatsoon programm VrtualEPR spectrometer, ms võmaldab smuleerda reaalse EPR spektromeetrga tomuvad monokrstallde EPR spektrte mõõtms laa valku krstallde, tsentrte ja mõõtmstngmuste korral. See programm võb oma mugavuse ja nätlkkuse nng samas tulemuste täpsuse tõttu leda laaldast rakendust õppetöös, kud samut uurmstöös. Programm unkaalsus saavutatakse järgmselt: võmalus smuleerda EPR spektrt kasutades mtu defekt korraga, ms annab krstall EPR- täelku pld; võmalus defneerda relaksatsoonmehhansm parameetrd, ms lubab smuleerda EPR spektrte sõltuvust krstall temperatuurst ja elektromagnetlane võmsusest. Programm töö täpsust ja korrektsust on kontrolltud nng see on olnud kõrge. 43
44 SUMMARY VrtualEPR Spectrometer and ts use on the example of MgO:e crystal Current work had two successfully accomplshed ams: Determnaton of [e] + center structure and parameters of ts Spn-Hamltonan. «VrtualEPR Spectrometer software development, that allows smulaton of EPR spectra as n scentfc as n educatonal purposes. It was completely determned, that the new paramagnetc center, dscovered n MgO:e crystals has e + - O - structure and was named as [e] + center. Spn-Hamltonan parameters were calculated and t was shown why hole s localzed on oxygen on: t s due to the shft of e + on from the central poston n MgO crystal on a dstance of 0.7 of lattce contestant, what creates a dpole whch feld holds the hole on oxygen on. Also, relaxaton mechansm parameters were determned, whch were proven by EPR spectra smulaton by VrtualEPR Spectrometer software. Successful development of VrtualEPR Spectrometer gves great opportuntes n educaton wth ts flexble and ntutve GUI. Software allows user to change as envronment parameters (frequency and power of the electromagnetc feld, crystal temperature and poston) as ts defects nner parameters (Spn-Hamltonan and relaxaton mechansm parameters). Unqueness of the software s acheved by the followng: opportunty to smulate EPR spectra concurrently usng several defects n crystal, whch gves a complete EPR pcture of the crystal; opportunty to defne relaxaton mechansm parameters what allows to smulate EPR spectra n dependence to crystal temperature and power of the electromagnetc feld. The correctness of EPR spectra smulated by VrtualEPR Spectrometer was checked and gave a splendd result. 44
45 . Dolgov, S. A., Isakhanyan, V., Kärner, T., Maaroos, A., Nakonechny, S. Lumnescence of [e] + center n MgO:e Rad. Meas. In press. Dolgov, S. A., Isakhanyan, V., Kärner, T., Maaroos, A., Nakonechny, S. Electron paramagnetc resonance of the [e] + centre n MgO:e J. Phys: Condens. Matter 003, 5, Kärner, T., Dolgov, S. A., Isakhanyan, V., Maaroos, A., Nakonechny, S. Paramagnetc centers n e-doped MgO sngle crystals Radat. Eff. Defects Solds 003, 58, Dolgov, S. A., Isakhanyan, V., Kärner, T., Maaroos, A., Nakonechny, S. V OH-e a new and unusual member n the famly of V centers J. Phys: Condens. Matter 00, 4,
46 %" & ', &6 "+ 0 " 6+ %+&#" 6 -)9 6( '&!" $!'&) )4$) % ( %!/) & '%"!$ /)!!"%) &")!$ ( %&!"".! 6)9 6( '&!" 0 " 6+ %+&#",") &&). ( &%,!" ''&8$! %"+ 5" ", 6# *( ' &6 " / 6+ /!". 46
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