ARUPS õ u § T “ Ó Þ” X ¢ Si(111) - 7 × 7 õ m Í Si(100) - 2 × 1 : 2 domain ƒ » ì Å8 ý  ¹ Å

ARUPS õ u § T  “ Ó Þ” X ¢ Si(111) - 7 × 7 õ m Í Si(100) - 2 × 1 : 2 domain ƒ » ì Å8 ý  ¹ Å 



Œ º



™

»Z Ì ‡ Ú ^∗ · T + ä ® £ ·  ™ »? # Ò · T  ø ¶ B%
 ·  6 ҄ ç ¡] 8 ;

 â

 © œ@ /† < Ɠ §  ƒ  õ † < Æ@ /† < Æ Ó ü t o † < Æõ  x 9  l œ íõ † < ƃ  ½ ¨™ è, 660-701

+ ä

<  - >

Ÿ

í† ½ Óí ß –\ O õ † < ƃ  ½ ¨" é ¶ G ' p" fr Û ¼% 7 ›ƒ  ½ ¨z  ´, 790-330

~ ç

¡+ ä ¬ £

d  ¦a Ë :@ /† < Ɠ § Ó ü t o † < Æõ  (2003¸   8 Z 4 4{ 9  ~ à Î6 £ §)

œ

í“ ¦”  / B N \ " f L :  F Mô  Ç Si(111) - 7 × 7 ³ ð€  õ  Si(100) - 2 × 1 : 2 domain ³ ð€  `  ¦ ï  r q ô  Ç  6 £ § 21.2 eV x 9  16.85 eV_  photon`  ¦ { 9  r &  ~ ½ ÓØ  ¦ ÷ &  H F  g„   _  y Œ •ì  r K  Û ¼& 7 ˜à Ô! 3 `  ¦ 8 £ ¤& ñ % i  . Si(111) - 7

× 7 ³ ð€   surface Brillouin zone(SBZ)_  ¯ Γ - ¯ M õ  ¯ Γ - ¯ K @ /g A ~ ½ ӆ ¾ ÓÜ ¼– Ð 8 £ ¤& ñ ô  Ç Û ¼& 7 ˜à Ô! 3 \ " f S

1

(-0.2 eV), S

2

(-0.8 eV), S

3

(-1.8 eV)_  [ j ³ ð€    © œI \  ¦ S X ‰ “   % i Ü ¼ 9, Õ ª ×  æ \ " f S

3

 © œI   H €  •ô  Ç ì  rí ß –`  ¦
 

? /% 3  . ¢ ¸ô  Ç €  • -2 eV ∼ -5 eV % ò % i \ " f  H bulk  © œI \ " f f ” ] X  „  s \  _ ô  Ç ¿ º > h_  x s ß ¼\  ¦ S X ‰

“

  % i  . Si(100) - 2 × 1 ³ ð€   SBZ_  ¯ Γ @ /g A& h \ " f Fermi \  -t   A  €  • -0.5 eV\  ³ ð€    © œI 

 z Œ ¤“ ¦, ¯J

⁰a,b

@ /g A& h \  @ /K " f  H €  • -0.8 eV, -1.3 eV, -1.8 eVü < -3.3 eV\ " f ³ ð€    © œI \  _ ô  Ç x s  ß

¼
 z Œ ¤ . -0.8 eV_  ³ ð€   © œI   H  _  ì  rí ß –s  \ O % 3 Ü ¼ 9 -1.3 eV_   © œI   H ì  rí ß –s  e ” % 3 “ ¦ { ; Ÿ ¤“ É r

€

 • 0.8 eV% i  . -1.8 eVü < -3.3 eV_  ³ ð€   resonance\ " f• ¸ €  •ô  Ç ì  rí ß –s  e ” % 3  . ¯J

⁰a

@ /g A& h õ  ¯ J

⁰_b

@ /g A

&

h \ " f -0.7 eVü < -1.3 eV\ " f 8 £ ¤& ñ  ) a x s ß ¼[ þ t“ É r ¯ J

⁰_a,b

@ /g A& h _  -0.8 eVü < -1.3 eV\ " f
 è ß –  © œI  ü

< 1 l x{ 9  % i  .

PACS numbers: 68.35

Keywords: y Œ •ì  r K  F  g„    ì  rF  gZ O , Si(111) - 7 × 7, 2½ ¨% i , ³ ð€   „    ½ ¨› ¸, Si(100) - 2 × 1

I. " e  ] Ø

“

¦^ ‰ ³ ð€  “ É r 3 " é ¶ Å Òl $ í s  L :# Qf ” Ü ¼– Ð “  K  bulkü <



 H ¢ ¸   É r : £ ¤$ í `  ¦ ”   . Õ ª ×  æ \ " f é ß –  & ñ Si ³ ð€  

“ É

r š ¸Z þ t± ú ˜ „   / B N\ O \ " f Si t    H l Õ ü t& h “   8 £ ¤€  \ 

"

f_  ×  æ כ ¹$ í õ  L :  F Mô  Ç ³ ð€  s  F ½ ¨$ í (reconstruction) 



 H : £ ¤ s ô  Ç $ í | 9  M :ë  H \  ´ ú §“ É r ƒ  ½ ¨ s À Ò# Q”   ³ ð€   ×  æ _  
s  . L :  F Mô  Ç Si(111)€  “ É r 7 × 7Ü ¼– Ð F ½ ¨$ í ÷ &

9, [1,2] Si(100)€  “ É r 2 × 1Ü ¼– Ð F ½ ¨$ í  ) a  . [3] Si(111) - 7 × 7 œ í    ½ ¨› ¸\  @ /K  ´ ú §“ É r ƒ  ½ ¨ [ þ t s  K $ 3 `  ¦ r 

•

¸ % i Ü ¼ 9, ‰ & ³F   H Dakayanagi_  DAS(dimer-adatom- stacking fault) — ¸4 S qs  s  ½ ¨› ¸\  ¦  © œ ¸ ú ˜ [ O " î   H  כ Ü ¼

–

Ð ‘ : r  . [4] DAS — ¸4 S q“ É r ô  Ç unit cell\  9> h_  dimer, 12> h

∗

E-mail: [email protected]

_  adatom, Õ ªo “ ¦ 
_  & h 8 £ x   † < Ê(stacking fault) 8 £ x Ü

¼– Ð ½ ¨$ í ÷ & 9, s  — ¸4 S q\   Ø Ô€   adatom\  12> h, stack- ing fault 8 £ x \  6> h, Õ ªo “ ¦ vacancy  A \  e ”   H " é ¶  

\

 1> h 1 p x 8 ú x 19 > h_  dangling bond unit cell ? /\  e ”

 . Si(111) - 7 × 7 ³ ð€   „    ½ ¨› ¸\  @ /K  Uhrberg 1

p x [5]“ É r 10.2 eV ∼ 21.2 eV % ò % i _  \  -t \  ¦ t   H

¼ #

F  g ) a photon`  ¦  6   x # Œ ARUPS z  ´+ « >`  ¦ à º' Ÿ  % i  .

s

[ þ t“ É r  Ä » „   + þ A(free electron like) ì  rí ß –`  ¦ ”   þ j 7

á

x  © œI (final state)_  { \  ¦ ˜ Г ¦ % i Ü ¼ 9, s \  ¦ s 6   x 

#

Œ Si(111) - 7 × 7\  @ /ô  Ç Û ¼& 7 ˜à Ô! 3 \ " f bulk „    {

(valence band)_  þ j © œ0 A ¿ º > h_  { – РÒ'  f ” ] X  „  s 

\

 _ ô  Ç F  g„    ~ ½ ÓØ  ¦`  ¦ S X ‰ “   % i  . ¢ ¸ô  Ç Fermi \  -t 



A  -0.2 eV, -0.8 eVü < -1.8 eV\ " f [ jt  ³ ð€    © œI 

\

 ¦ µ 1 Ï|  % i  . Hammers 1 p x [6]“ É r current imaging tun-

neling spectroscopy(CITS)\  ¦ s 6   xô  Ç z  ´+ « >`  ¦ : Ÿ x # Œ F  g„  

-327-



 ì  rF  g (UPS) z  ´+ « >\ " f µ 1 ß) €”   [ j ³ ð€    © œI _    H" é ¶ s  adatom_  half filled dangling bond(S

1

), adatom_  back bond(S

₃

), Õ ªo “ ¦ rest atom_  filled dangling bond(S

₂

)e ” 

`

 ¦ µ 1 ß+ À I .

L

:  F Mô  Ç Si(100) ³ ð€  “ É r 2 × 1Ü ¼– Ð F ½ ¨$ í  ) a ¿ º > h_ 

½

¨% i `  ¦ t   H ³ ð€  s  9 F ½ ¨$ í “ É r
ê ø Í >  & ñ § > = ) a Si dimer M :ë  H \ 
 è ß – . Dimer_  C \ P [ þ t“ É r [011] ~ ½ ӆ ¾ Óõ  [01¯ 1] ~ ½ ӆ ¾ ÓÜ ¼– Ð Z  ~ # Œ| 9  à º e ” Ü ¼ 9, dimer_  ~ ½ ӆ ¾ Ó\     2

× 1 ½ ¨› ¸ü < 1 × 2 ½ ¨› ¸\  ¦ ”   ¿ º ½ ¨% i Ü ¼– Ð
¾ º# Q4 R e ” 



. ¢ ¸ô  Ç s  ½ ¨› ¸  H é ß –" é ¶  8 £ x_  Z  } s  \  ¦ ”   . [7] L :

 F

Mô  Ç Si(100) ³ ð€  \  @ /K " f• ¸ s  : r& h Ü ¼– Ð
 z  ´+ « >& h Ü ¼– Ð

´ ú

§“ É r ƒ  ½ ¨ e ” % 3  . [8–10] ³ ð€   F ½ ¨$ í  ) a Si(100)-2 × 1

³

ð€  \  @ /ô  Ç Y >  > h_  ½ ¨› ¸& h “   — ¸4 S qs  ] jr ÷ &% 3 Ü ¼
 [9, 11, 12] ‰ & ³F   H þ j © œ0 A " é ¶  8 £ x \  + þ A$ í  ) a dimer – Ð ½ ¨$ í  ) a

—

¸4 S q– Ð s  ³ ð€  _  " é ¶   ½ ¨› ¸\  ¦ [ O " î “ ¦ e ”  . 7 £ ¤, s  — ¸ 4

S q\ " f  H þ j © œ8 £ x \  e ”   H ¿ º > h_  " é ¶  [ þ t s  " f– Ð bonding

† <

ÊÜ ¼– Ð+ ‹ F ½ ¨$ í ÷ &t  · ú §“ É r bulk-exposed €  õ  q “ §½ + É M :

³

ð€  _  dangling bond_  à º\  ¦ ì ø ÍÜ ¼– Ð ×  ¦ # Q[ þ t >  # Œ î ß –

&

ñ ô  Ç  © œI \  ¦ s ê  r  . Õ ª! 3 \ • ¸ p K   “   ë  H ] j& h [ þ t s  z Œ ™



 e ” Ü ¼ 9, Õ ª ×  æ 
  H dimer [ þ t s  @ /g A“   <  ʓ É r q 

@

/g A“     H  כ s  . [13,14] s  : r& h Ü ¼– Ð > í ß – ) a @ /g A dimer — ¸4 S qõ  q @ /g A dimer — ¸4 S q  s _  \  -t    H   Å

Ò  Œ •Ü ¼Ù ¼– Ð ³ ð€  \  ¿ º 7 á x À Ó_  dimer [ þ t s  / B N” > r½ + É Ã º e ”  Ü

¼ 9, [14] STM › ' a¹ 1 Ï\ " f• ¸ ¿ º 7 á x À Ó_  dimer[ þ t s   _  ° ú  

“ É

r  כ Ü ¼– Ð
 z Œ ¤ . [15,16] Si(100) - 2 × 1 ³ ð€  _  „   

½

¨› ¸\  @ /K " f• ¸ ´ ú §s  ƒ  ½ ¨÷ &% 3  . [13,17] @ /g A dimer — ¸ 4

S q\    H  ô  Ç ³ ð€   {  ½ ¨› ¸ > í ß –\  _  €   Si(100) ³ ð€  “ É r F

K5 Å q$ í `  ¦
 ? /“ ¦ e ” t ë ß –, [18] photoemission z  ´+ « >    õ

 Si(100)³ ð€  “ É r ì ø ͕ ¸^ ‰$ í e ” `  ¦
 ? /“ ¦ e ”  . [13, 19]

q

@ /g A dimer — ¸4 S q\  @ /ô  Ç s  : r& h “   > í ß –\ " f ¿ º > h_  dangling bond {  ì  r o ÷ &% 3 “ ¦ Õ ª   õ  ³ ð€   {  ç ß –  s 

 
 z  ´+ « >& h “   ì ø ͕ ¸^ ‰$ í õ  { 9 u  % i  . [20]

‘

: r ƒ  ½ ¨\ " f  H " é ¶  & h Ü ¼– Ð L :  F Mô  Ç Si(111) - 7 × 7 ³ ð

€ 

õ  Si(100) - 2 × 1 ³ ð€  _  „   ½ ¨› ¸\  ¦ ƒ  ½ ¨ % i  . €  

$

 LEED\  ¦ s 6   x # Œ Si(111) - 7 × 7 ³ ð€  õ  Si(100) - 2

× 1 ³ ð€  ½ ¨› ¸\  ¦ › ' a¹ 1 Ï # Œ s [ þ t ³ ð€  _  SBZ– РÒ'  @ /g A

~

½ ӆ ¾ Ó`  ¦   & ñ ô  Ç  6 £ § ARUPS\  ¦ s 6   x # Œ ³ ð€   @ /g A‚  `  ¦



  F  g„    Û ¼& 7 ˜à Ô! 3 `  ¦ 8 £ ¤& ñ “ ¦ s [ þ t ¿ º ³ ð€  _  „   

½

¨› ¸\  ¦   & ñ % i  .

II. ÷ m Ç ] M ö

‘

: r z  ´+ « >“ É r VG ESCA Lab III ARUPS  © œu \  ¦ s 6   x 

#

Œ à º' Ÿ  % i  . s   © œu \   H ³ ð€   ½ ¨› ¸\  ¦ › ' a¹ 1 Ͻ + É Ã º e ”   H Õ

ªa Ë > 1. (a) The surface Brillouin zone (SBZ) of the Si(111) - 7 × 7 surface and (b) the SBZ of the Si(100) - 2 × 1 : 2 domain surface.

LEED, ï ß –À Ó l ^ ‰ ì  r$ 3 6   x RGA, ³ ð€   Ô  ¦í  HÓ ü t`  ¦ ] j ½ + É Ã º e ”

  H ion sputter gun s   © œ‚ à Ì÷ &# Q e ” “ ¦, y Œ •ì  r K  8 £ ¤& ñ `  ¦ 0 A ô 

Ç goniometerü < „    \  -t  ì  r$ 3 l – Ð CHA  © œ‚ à Ì÷ &

#

Q e ”  . F  g " é ¶ Ü ¼– Ѝ  H 1 p x C l d ” _   ü @‚   Ï þ ›á Ԗ Ð He <  Ê

“

É r Ne`  ¦ ~ ½ ӄ  r &  µ 1 ÏÒ q t   H  ü @‚  `  ¦ s 6   xô  Ç . F  g„   

 Ž

Ø  ¦ \   H collection aperture  f ”  â 1 mm, y Œ • ì  r K 0 p x s 

±2

^◦

& ñ • ¸“   CHA\  ¦  6   x # Œ pass energy\  ¦ { 9 & ñ >  ¿ º

“

¦ y Œ ™5 Å q „  · ú š`  ¦ 8 £ ¤& ñ „   _  \  -t \        or v   H

~

½ ÓZ O “   FTA(fixed analyzer transmission) — ¸× ¼\  ¦  6   x 

%

i  .  6   xô  Ç l ó ø ͓ É r q $ † ½ Ós  €  • 5Ωcm“   P doped  ) a Si(111) x 9  Si(100) wafer% i  . €  $  wafer\  ¦ €  • 3.5 mm x 20 mm_  ß ¼l – Ð ] X é ß –ô  Ç Ê ê 10%_  HF 6   xÓ  o\  { Œ ™Õ ª# Q í ß –



o} Œ •`  ¦ ] j  “ ¦ 17 MΩcm_  » 1 Ï s “ : r à º\  '  ç  H Ê ê | › ¸ ô 

Ç N

2

\  Ô  ¦ # Q ´ ú ˜ 2 ;  6 £ § G e ” ! Q\   © œ‚ Ã Ì % i “ ¦ 150

^◦

C \ 

"

f €  • 27r ç ß – & ñ • ¸ baking Ê ê 2 × 10

⁻¹⁰

Torr_  œ í“ ¦”   /

B

N \  • ¸² ú ˜ % i  . œ í“ ¦”  / B N \ " f sample holder\  DC\  ¦

:

Ÿ

x„  r &  €  • 800

^◦

C \ " f 15ì  rç ß – \ P  # Œ Ô  ¦í  HÓ ü t`  ¦ 7 £ xµ 1 Ï r

†    6 £ § 1200

^◦

C \ " f à ºœ íç ß – flash heating`  ¦ à º r ì ø Í4 Ÿ ¤

# Œ L :  F Mô  Ç ³ ð€  `  ¦ % 3 % 3  . L :  F Mô  Ç Si(111) ³ ð€  “ É r 7 × 7 Ü ¼– Ð F ½ ¨$ í ÷ &# Q e ” % 3 “ ¦, Si(100) ³ ð€  “ É r 2 × 1Ü ¼– Ð F 

½

¨$ í ÷ &# Q e ” % 3 Ü ¼
 à ºf ” ô  Ç ~ ½ ӆ ¾ ÓÜ ¼– Ð ¿ º > h_  domains  + þ

A$ í ÷ &# Q e ” % 3  . Õ ªa Ë > 1“ É r Si(111) x 9  Si(100) - 2 × 1 : 2 domain \  @ /ô  Ç ³ ð€   SBZ– Ð y Œ • @ /g A& h “ É r › ' a Y V& h Ü ¼– Ð   6

 

x   H l   ñ\  ¦  | à Û . Õ ªa Ë >\ " f · ú ˜ à º e ”   H  ü < ° ú  s  Si(100) ³ ð€  _  SBZ\ " f [010] @ /g A ~ ½ ӆ ¾ ӓ É r Si(100) ³ ð€   _  domain ´ òõ \  ¦ x ½ + É Ã º e ”   H ~ ½ ӆ ¾ Ós  . Si(111)€  \ 

@

/ô  Ç ARUPS 8 £ ¤& ñ r  ³ ð€  \  à ºf ” ô  Ç ~ ½ ӆ ¾ Ó\  @ /K  θ

ⁱ

= 53

^◦

_  ~ ½ ӆ ¾ ÓÜ ¼– Ð photons  { 9  ÷ & 9, ~ ½ ÓØ  ¦ ÷ &  H F  g„     H

³

ð€  \  à ºf ” ô  Ç ~ ½ ӆ ¾ Ó\  @ /K  θ

e

= 0

^◦

\ " f 60

^◦

 t  2

^◦

ç ß –

 

Ü ¼– Ð ¯ Γ - ¯ M, ¯ Γ - ¯ K ~ ½ ӆ ¾ Ó\  @ /K  8 £ ¤& ñ % i  . Si(100) €  

\

 @ /K " f  H θ

i

= 55

^◦

– Ð “ ¦& ñ r v “ ¦ θ

^e

= 0

^◦

\ " f 46

^◦

  t

 2

^◦

_  ç ß –  Ü ¼– Ð [010], [011], [01¯1] ~ ½ ӆ ¾ Ó\  @ /K  8 £ ¤& ñ 

% i  .

III. + s ÇÊ Ý õ m Í À X Ø8 ý

r

« Ñ_  { 9 † < Êà º  H 8 £ ¤& ñ   H €  \     €  •ç ß –m ”    É r X <

Õ

ª s Ä »  H ³ ð€  _  " é ¶   C \ P \     „    x 9 • ¸ ì  r Ÿ í ² ú ˜



t Ù ¼– Ð y Œ • ³ ð€  _  ( J $ ™[ >   © œ# 4 _  Z  } s   Ø Ôl  M :ë  H s

 .   " f Si(111)€  õ  Si(100)€  _  { 9 † < Êà º• ¸  Ø Ô .

{ 9

† < Êà º  H  6 £ §d ” \  _ K  ½ ¨K ”   .

E

_c

− eV

b

= ϕ

_Si

− ϕ

spec

(1)

#

Œl " f E

^c

  H = å S # Q! Qa Ë >(cut off) î  r1 l x \  -t , V

^b

  H r « Ñ\ 

 

# Qï  r bias „  · ú š, ϕ

spec

“ É r \  -t  ì  r$ 3 l _  { 9 † < Êà ºs  .

Si(111) ³ ð€  \  @ /K  8 £ ¤& ñ ô  Ç z  ´+ « >° ú כ[ þ t“ É r ϕ

spec

= 4.53 eV, V

_b

= 6.28 eV, E

_c

= 6.33 eV – Ð+ ‹ { 9 † < Êà º  H 4.58 eV% i “ ¦, s

 ° ú כ“ É r ˜ Г ¦  ) a ° ú כ“   4.60 eVü <  _  1 l x{ 9   . [21, 22]

Si(100) ³ ð€  \ " f  H ϕ

spec

= 4.53 eV, V

b

= 6.13 eV, E

c

= 6.57 eV – Ð Si(100) ³ ð€  _  { 9 † < Êà º 4.97 eV– Ð ˜ Г ¦  ) a

°

ú כ“   4.85 eV˜ Ð  €  • 0.12 eV_  s  z Œ ¤ . [19,23]

Õ

ªa Ë > 2  H Si(111) - 7 × 7 ³ ð€  \  He I(21.22 eV)õ  Ne I(16.85 eV)_  photon`  ¦ { 9  r (  `  ¦ M : ¯ Γ - ¯ K ~ ½ ӆ ¾ ÓÜ ¼

–

Ð θ

e

= 10

^◦

– Ð ~ ½ ÓØ  ¦ ÷ &  H F  g„   _  EDC(energy distribu- tion curve) s  . Û ¼& 7 ˜à Ô! 3 \ 
 è ß –  ü < ° ú  s  ¸ ú ˜ · ú ˜ 9

”

  Si(111) ³ ð€   F ½ ¨$ í \  _ ô  Ç  © œI  Fermi \  -t    A

 -0.2 eV(S

¹

), -0.8 eV(S

2

), Õ ªo “ ¦ -1.8 eV(S

³

) \ 
 
 e ”

 . [24, 25] Õ ª s ü @\  €  • -2 eV\ " f › ' a8 £ ¤ ÷ &  H x s ß ¼ [

þ

t“ É r f ” ] X  …  ;s \  _ K 
 
  H bulk { ½ ¨› ¸\  _ ô  Ç  © œ I

s  . S

1

“ É r Fermi ï  r0 A\ " f metallic edge\  ¦ + þ A$ í  9 Õ

ªa Ë > 2. Normalized photoemission spectra for Si(111) - 7 × 7 surface taken at θ

e

= 10

^◦

by hν = 21.2 eV and hν

= 16.85 eV.

adatom \ " f_  half filled dangling bond\  @ /6 £ x   H  © œ I

s  . S

²

  H rest atom \  0 Au ô  Ç filled dangling bond\ 

@

/6 £ x   H  © œI s  9 S

³

  H adatom õ  Õ ª  – Ð  A \  e ”   H Si " é ¶    s _  back bond\  @ /6 £ x   H  © œI s  . [6] { 9 



 photon_  y © œ• ¸\  ¦ { 9 & ñ >  # Œ• ¸ ¿ º Û ¼& 7 ˜à Ô! 3 _  y © œ

•

¸ s   H  כ “ É r { 9   photon \  -t \  @ /ô  Ç Si " é ¶   _

 F  g s “ : r o é ß –€  & h (photoionization cross section)s   s

 e ” l  M :ë  H s  . 7 £ ¤ Si-3p C • ¸ „   [ þ t“ É r 21.2 eV_ 

\

 -t \  ¦ ”   photon(He I)˜ Ð  16.85 eV_  \  -t \  ¦

”   photon(Ne I)\  @ /K  €  • 3.5 C & ñ • ¸  8  H F  g s “ : r o é

ß –€  & h `  ¦ ”   . [26]

Õ

ªa Ë > 3“ É r \  -t  16.85 eV“   photon`  ¦ { 9  r &  ¯ Γ - M ~ ¯ ½ ӆ ¾ Ó x 9  ¯ Γ - ¯ K ~ ½ ӆ ¾ Ó\  @ / # Œ ~ ½ ÓØ  ¦y Œ • θ

_e

\  ¦    or v €  

"

f 8 £ ¤& ñ ô  Ç F  g„   _  EDC Û ¼& 7 ˜à Ô! 3 s “ ¦, Õ ªa Ë > 4  H 21.2 eV_  photon`  ¦ { 9  r &  ¯ Γ - ¯ M ~ ½ ӆ ¾ Ó x 9  ¯ Γ - ¯ K ~ ½ ӆ ¾ Ó\  @ / K

 8 £ ¤& ñ ô  Ç F  g„   _  EDC Û ¼& 7 ˜à Ô! 3 s  .

ARUPS – Ð 8 £ ¤& ñ ô  Ç Û ¼& 7 ˜à Ô! 3 \ " f y Œ • x s ß ¼[ þ t \  K { © œ

  H F  g„   _    ½ + Ë \  -t \  ¦ 8 £ ¤& ñ † < ÊÜ ¼– Ð+ ‹ œ íl   © œI  _  \  -t  {  ½ ¨› ¸\  ¦ % 3 `  ¦ à º e ”  . î  r1 l x| ¾ Ó ˜ Д > r Z O g Ë :

\

    F  g„   [ þ t s  ”  / B N Ü ¼– Ð ~ ½ ÓØ  ¦| ¨ c M :  à º 7 ˜' (wave

Õ

ªa Ë > 3. ARUPS spectra of Si(111) - 7 × 7 surface taken by 16.85 eV photon along (a) the ¯ Γ - ¯ M direction and (b) ¯ Γ - ¯ K direction.

vector)_  r « Ñ ³ ð€  \ 
ê ø Íô  Ç $ í ì  r(k

i,k

)“ É r “ ¦^ ‰? /\ " f

„ 

 _ 
×  æ © œI   à º 7 ˜' _  r « Ñ ³ ð€  \ 
ê ø Íô  Ç $ í ì

 r(k

f,k

) õ  ° ú   . ”  / B N ï  r0 A\  ¦ l ï  r Ü ¼– Ð ô  Ç ? /Â Ò ( J $ ™ [ >

 V

₀

(V

₀

<0), Fermi ï  r0 A\  ¦ l ï  r Ü ¼– Ðô  Ç ? /Â Ò ( J $ ™[ >  E

₀

(E

₀

<0) x 9  r « Ñ_  { 9 † < Êà º ϕ (ϕ > 0)  s _  › ' a >   H



6 £ § õ  ° ú   .

V

0

= E

0

− eϕ (2) Õ

ª Q€   œ íl   © œI _  „   _   à º 7 ˜'   H

~ k

i,⊥

= q

2m( −V

0

+ E

_k⁰

cos

²

θ

e

)

= p

2m[(E

_i

+ hν − eϕ) cos

²

θ

_e

− V

0

] (3)

~ k

_i,k

= q

2mE

⁰_k

sin θ

e

= p

2m(E

i

+ hν − eϕ) sin θ

e

(4) Õ

ªa Ë > 4. ARUPS spectra of Si(111) - 7 × 7 surface taken by 21.2 eV photon along (a) the ¯ Γ - ¯ M direction and (b) Γ - ¯ ¯ K direction.

–

Ð Å Ò# Q”   . # Œl " f mõ  e  H „   _  | 9 | ¾ Óõ  „   s  9, E

_i

ü < E

⁰_k

“ É r y Œ •y Œ • “ ¦^ ‰? /\ " f_  „   _  œ íl   © œI ü <
×  æ



© œI _  \  -t \  ¦
 ? / 9, ? /Â Ò ( J $ ™[ >  E

₀

  H { 9 ì ø Í& h Ü ¼

–

Ð s  : r > í ß –\ " f ½ ¨ô  Ç muffin tin ( J $ ™[ > `  ¦
  · p . œ í l

  © œI _  „    ½ ¨› ¸  H  à º 7 ˜' _  à º¨ î $ í ì  r Ü ¼– РÒ' 

½

¨½ + É Ã º e ”  . ¢ ¸ô  Ç ¯ M @ /g A& h \ " f  H k

_⊥

° ú כs  0.94˚ A

⁻¹

, K ¯ @ /g A& h \ " f  H k

_k

° ú כs  1.08˚ A

⁻¹

– Ð 8 £ ¤& ñ ÷ &% 3  .   " f s

 › ' a > ü < (4)d ” `  ¦ s 6   x # Œ E(~k)_  ì  rí ß – › ' a > \  ¦ ½ ¨½ + É Ã º e ”

 .

Õ

ªa Ë > 5  H (4)d ” `  ¦ s 6   x # Œ ¯ Γ - ¯ M ~ ½ ӆ ¾ Ó, ¯ Γ - ¯ K ~ ½ ӆ ¾ Ó\ 



 É r œ íl   © œI   à º 7 ˜' _  à º¨ î $ í ì  r Ü ¼– РÒ'  ½ ¨ô  Ç œ í l

 \  -t _  ì  rí ß – › ' a > \  ¦
  · p  כ s  . Õ ªa Ë >\ " f ◦Ü ¼

–

Ð ³ ðr ô  Ç  כ “ É r 16.85 eV_  photon`  ¦ s 6   x # Œ % 3 “ É r  כ s  9, •Ü ¼– Ð ³ ðr ô  Ç  כ “ É r 21.2 eV photon`  ¦ s 6   x # Œ % 3 “ É r

 כ

s  . Õ ªa Ë >\ " f z  ´‚  Ü ¼– Ð ³ ðr ô  Ç  כ “ É r Ihm 1 p x [27] s 

Õ

ªa Ë > 5. Experimental initial state energy versus ¯ k

_k

plots along the ¯ Γ - ¯ M and ¯ Γ - ¯ K directions for Si(111) - 7 × 7 surface.

s

 : r& h Ü ¼– Ð > í ß –ô  Ç ì  rí ß – › ' a > s  . S

1

³ ð€    © œI   H ¿ º ~ ½ Ó

†

¾ Ó — ¸¿ º €  • 8

^◦

Â Ò   H \ " f  © œ  H y © œ• ¸\  ¦ ˜ Ðs  9, ¯ Γ - ¯ M ~ ½ Ó

†

¾ Ó, ¯ Γ - ¯ K ~ ½ ӆ ¾ ÓÜ ¼– Ð ì  rí ß –“ É r › ' a¹ 1 Ï÷ &t  · ú §€ Œ ¤ . Õ ªo “ ¦ S

1



© œI – Ð “   # Œ ARUPS Û ¼& 7 ˜à Ô! 3 [ þ t“ É r @ / Òì  r_  ½ ¨ç ß –\ 

"

f F K5 Å q$ í = å Q`  ¦
 ? /“ ¦ e ”  . s  Qô  Ç   õ   H Si(111) - 7 × 7 ³ ð€  s  F K5 Å q$ í e ” `  ¦
  · p . S

2

  H SBZ „   % ò % i \ 

"

f Ì º§  s  ˜ Ðs  9, ì  rí ß – % i r  › ' a¹ 1 Ï÷ &t  · ú §€ Œ ¤ . Houzay 1

p x [2]“ É r ¼ # F  g ) a photon`  ¦ s 6   x # Œ L :  F Mô  Ç Si ³ ð€  \  @ / ô 

Ç ƒ  ½ ¨\  ¦ : Ÿ x K  S

2

³ ð€    © œI   H y © œô  Ç p

_z

orbital$ í \  l 

“

 ô  Ç dangling bond  © œI e ” `  ¦ ˜ Г ¦ô  Ç   e ”  . S

³

 © œI   H θ

e

 20

^◦

Â Ò   H \ " f  © œ  H y © œ• ¸\  ¦
 ? /% 3  .   É r ³ ð

€ 

  © œI ü <  H ² ú ˜o  s   © œI   H €  •ô  Ç œ íl  \  -t _  ì  rí ß – › ' a

>

 µ 1 Ï| ÷ &% 3   H X < θ

^e

= 10

^◦

\ " f -1.78 eV_  œ íl  \  - t

\  ¦ t  9 s \  ¦ l ï  r Ü ¼– Ð θ

e

 & t  
  Œ • t €   Z  }

“ É

r œ íl  \  -t  ~ ½ ӆ ¾ ÓÜ ¼– Ð s 1 l x`  ¦  9 { ; Ÿ ¤“ É r €  • 0.2 eV s

 . [28] s ü < ° ú  “ É r ì  rí ß –“ É r ¯ Γ - ¯ K ~ ½ ӆ ¾ Ó\  @ /K " f• ¸ 1 l x { 9

 > 
 z Œ ¤ . Fermi \  -t   A  €  • -2 eV ∼ -5 eV

% ò

% i \ " f 8 £ ¤& ñ  ) a Û ¼& 7 ˜à Ô! 3 [ þ t“ É r ~ ½ ÓØ  ¦y Œ •s  7 £ x † < Ê\     Z

 }“ É r \  -t  ~ ½ ӆ ¾ ÓÜ ¼– Ð ì  rí ß –s  { 9 # Q
  H Y >  > h_  ½ ¨› ¸[ þ t s

 › ' a¹ 1 Ï÷ &% 3  . s  ½ ¨› ¸[ þ t“ É r bulk {  ½ ¨› ¸[ þ t – РÒ'  f ” ] X 

„

 s \  _ ô  Ç  כ Ü ¼– Ð Ò q ty Œ • ) a  . Uhrberg 1 p x [5]“ É r 10.2 eV

\

" f 17.0 eV_  photon \  -t  % ò % i _  ¼ # F  g ) a y n C`  ¦ s 6   x

# Œ ARUPS– Ð Si(111) - 7 × 7 x 9  Si(100) - 2 × 1_  ³ ð

€ 

 x 9  bulk „    ½ ¨› ¸\  ¦ ƒ  ½ ¨ % i  . s [ þ t“ É r €  • -2 eV ∼ -5 eV  s _  % ò % i \ " f › ' a8 £ ¤ ÷ &  H x s ß ¼ [ þ t“ É r ¿ º > h_  þ j



© œ0 A „   { – РÒ'  f ” ] X  „  s \  _ ô  Ç  כ Ü ¼– Ð ˜ Г ¦ 

%

i  . Õ ªa Ë > 5\ " f bulk  © œI – Ð ˜ Ðs   H ½ ¨› ¸[ þ t s  s  : r& h  Ü

¼– Ð ½ ¨ô  Ç bulk  © œI _  ì  rí ß – › ' a > [ þ t õ   © œ{ © œy  ¸ ú ˜ { 9 u † < Ê

`

 ¦ ^  ¦ à º e ”  .

Õ

ªa Ë > 6. ARUPS spectra of Si(100) - 2 × 1 surface taken by 21.2 eV photon along (a) the [010] direction, (b) [011]

direction and (c) [01¯ 1] direction.

Õ

ªa Ë > 6“ É r 21.2 eV_  { 9   photon \  -t \  ¦  6   x # Œ Si(100) - 2 × 1 SBZ\ " f [010], [011] x 9  [01¯ 1] ~ ½ ӆ ¾ Ó\  @ /

# Œ 8 £ ¤& ñ ô  Ç ARUPS Û ¼& 7 ˜à Ô! 3 s  . (a)  H [010] ~ ½ ӆ ¾ Ó\ 

@

/ô  Ç  כ Ü ¼– Ð Fermi \  -t   A  -0.5 eV\ " f  Å Ò y © œô  Ç x

s ß ¼ › ' a¹ 1 Ï÷ &% 3  . ~ ½ ÓØ  ¦y Œ • θ

e

 7 £ x † < Ê\     {  ° ú ˜



f ” (band split)s  { 9 # Q
 9, ° ú ˜ ”    © œI  ×  æ \ " f Fermi

\

 -t   A  -0.7 eV_   © œI   H ì  rí ß –s   _  { 9 # Q
t  · ú § t

ë ß –,   É r  © œI   H ì  rí ß –s  Ì º§   9 { ; Ÿ ¤“ É r €  • 0.8 eV% i 



. θ

^e

 24

^◦

\ " f 42

^◦

“   % ò % i \ " f €  • -2 eV   H~ ½ Ó\  Ì º§  ô  Ç ì

 rí ß –`  ¦ ˜ Ðs   H  © œI ü < €  • -3.3 eV\ " f €  •ô  Ç ì  rí ß –`  ¦ ˜ Ðs  t

ë ß –  H y © œ• ¸\  ¦
 ? /  H  © œI  y Œ •y Œ • › ' a8 £ ¤ ) a  . Fermi

\

 -t   A  €  • -4 eV ∼ -5 eV  s \  › ' a8 £ ¤ ÷ &  H x s ß ¼ [

þ

t“ É r bulk  © œI – Ð Ò q ty Œ • ) a  . [011] @ /g A ~ ½ ӆ ¾ Ó(b)õ  [01¯ 1]

@

/g A ~ ½ ӆ ¾ Ó(c)\ " f• ¸ % i r  Fermi \  -t   A  €  • -0.5 eV

\

 ³ ð€    © œI  › ' a¹ 1 Ï÷ &% 3 Ü ¼ 9 θ

e

 7 £ x † < Ê\     {  ° ú ˜



f ” s  › ' a¹ 1 Ï÷ &% 3  . 8 £ ¤& ñ  ) a EDC Û ¼& 7 ˜à Ô! 3 \ " f S X ‰ “  ½ + É Ã

º e ”   H  ü < ° ú  s  Si(100) - 2 × 1 ³ ð€  “ É r Si(111) - 7 × 7 ³ ð€  õ  ² ú ˜o  ì ø ͕ ¸^ ‰$ í `  ¦
  · p . s  Qô  Ç   õ   H ë  H

‰ 

³\  ˜ Г ¦  ) a   õ  [19]ü < & ñ $ í & h Ü ¼– Ð ° ú  “ É r   õ – Ð+ ‹ @ / g A dimer — ¸4 S qõ   H  © œì ø Í÷ &“ ¦ q @ /g A dimer — ¸4 S qõ   H { 9  u

ô  Ç .

Õ

ªa Ë > 7\ " f  H Si(100) - 2 × 1 ³ ð€  _  [ j @ /g A ~ ½ ӆ ¾ Ó\  @ / ô 

Ç œ íl   © œI   à º 7 ˜' _  à º¨ î $ í ì  r \  @ /ô  Ç œ íl  \  -t  _  ß ¼l \  ¦
  · p  כ Ü ¼– Ð (a)  H [010] ~ ½ ӆ ¾ Ó, (b)  H [011] ~ ½ Ó

†

¾ Ó, Õ ªo “ ¦ (c)  H [01¯ 1]~ ½ ӆ ¾ Ó\  @ /ô  Ç  כ s  . (a)_  & h ‚  “ É r 1

× 1 SBZ\ " f linearized augmented plane wave(LAPW)

~ ½

ÓZ O `  ¦  6   xô  Ç {  ½ ¨› ¸ > í ß –Ü ¼– РÒ'  % 3 # Q”   bulk {  ½ ¨

›

¸\  ¦ & h ‚  Ü ¼– Ð ³ ðr ô  Ç  כ s  . [29] ¢ ¸ô  Ç (b)ü < (c)\ " f z 

´‚  Ü ¼– Ð Õ ª 9”    כ “ É r q @ /g A dimer — ¸4 S q\    H   # Œ s 



: r& h Ü ¼– Ð > í ß – ) a  © œI [ þ t s  9, & h ‚  “ É r 1 × 1 SBZ\  @ / 

#

Œ È Ò% ò  ) a bulk {  ½ ¨› ¸_  = å Q  Òì  r`  ¦
  · p . [30] Õ ªa Ë >

\

" f ˜ Ѝ  H  ü < ° ú  s  ¯J

⁰a

@ /g A& h õ  ¯ J

⁰_b

@ /g A& h \ " f €  • -1.3 eV x 9  -0.7 eV\ " f › ' a¹ 1 ϝ ) a  © œI _  ì  rí ß –“ É r s  : r& h Ü ¼– Ð >  í

ß –ô  Ç   õ ü <  © œ{ © œy  q 5 p w† < Ê`  ¦ · ú ˜ à º e ”  .

Õ

ªa Ë > 8-(a)  H ¯ Γ ü < ¯ J

⁰_a,b

@ /g A& h , Õ ªo “ ¦ (b)  H ¯ Γ ü < ¯ J

⁰_a

, J ¯

⁰_b

@ /g A& h  \ " f 8 £ ¤& ñ  ) a F  g„    Û ¼& 7 ˜à Ô! 3 `  ¦ q “ §ô  Ç  כ s 



. (a)\ " f S X ‰ “  ½ + É Ã º e ”   H  ü < ° ú  s  ¯ Γ @ /g A& h \ " f  H Fermi \  -t   A  €  • -0.5 eV\ " f  H y © œ• ¸\  ¦ ”    © œI 

 S X ‰ “  ÷ &% 3 Ü ¼
 -2 eV ∼ -5 eV % ò % i \ " f  H ¢ - aë ß –ô  Ç Û ¼

&

7 ˜à Ô! 3 Ü ¼– Ð “  K  Ì º§  ô  Ç ½ ¨› ¸\  ¦ S X ‰ “   l  # Q§ >  . ¯J

⁰a,b

@

/g A& h \ " f  H à ºf ”  ~ ½ ÓØ  ¦ õ  ² ú ˜o  -0.8 eV(B), -1.3 eV(A), -1.8 eV(G) ü < -3.3 eV(D)\ " f  © œI  › ' a¹ 1 Ï÷ &% 3  . ¯J

⁰a,b

@ / g A& h \ " f › ' a¹ 1 ϝ ) a A, B, D x s ß ¼[ þ t“ É r ³ ð€   © œI  <  ʓ É r ³ ð

€ 

 resonances  . [13]  © œI  A  H dangling bond \  _ ô  Ç



© œI s  9  © œI  B  H œ íl  Ò'   7 HÔ q t_  @ / © œs  ÷ &# Q“ : r  © œ I

– Ð 2 × 1 dimer — ¸4 S q\    H  ô  Ç { ½ ¨› ¸ > í ß –\ " f
 

t  · ú §  H  © œI s t ë ß – single domain\ " f• ¸ › ' a¹ 1 Ï÷ &# Qt 



 H  © œI s  . ¯ Γ @ /g A& h \ " f › ' a¹ 1 Ï÷ &  H €  • -0.5 eV\ " f_  x

s ß ¼  H  © œI  Aü <  © œI  B_  ×  æ^ o ?Ü ¼– Ð
 è ß –   õ s 



.  © œI  A_  { ; Ÿ ¤“ É r €  • 0.8 eV & ñ • ¸– Ð › ' a¹ 1 Ï÷ &# Q& ’   H X <

ë

 H‰  ³\  ˜ Г ¦  ) a   õ ü < ¸ ú ˜ { 9 u ô  Ç . [13,31,32] Õ ª Q
 ¯ Γ

@

/g A& h \ " f Aü < B_  ×  æ^ o ?\  _ ô  Ç x s ß ¼_  0 Au   H €  • -0.5 eV & ñ • ¸– Ð, s „  \  ˜ Г ¦  ) a   õ “   -0.7 eV ˜ Ð  €  • 0.2 eV & ñ • ¸  8 Z  }  .  © œI  D  H ¯ J

⁰_a,b

\  ¦ † ¾ ÓK  œ íl  \  -t 

 & t   H ~ ½ ӆ ¾ ÓÜ ¼– Ð ì  rí ß –s  › ' a¹ 1 Ï÷ &# Qt   H X < à º™ è f  ¨‚ à Ì

\

   y Œ ™ô  Ç ³ ð€   resonance– Ð y n C_  ¼ # F  g_  z$ í ì  r \  y © œ >  Õ

ªa Ë > 7. Experimental initial state energy versus ¯ k

_k

plots along (a) the [010] direction, (b) [011] direction and (c) [01¯ 1] direction for Si(100) - 2 × 1 surface.

_

” > r& h e ” s  ˜ Г ¦  ) a   e ”  . [13] G_  ì  rí ß –“ É r ¯ J

⁰_a,b

`  ¦ l ï  r Ü

¼– Ð y © œô  Ç @ /g A`  ¦ ˜ Ð# Œ SBZ\  @ /K  @ /g A& h s  9, photon

\

 -t _     o\  @ /K  x s ß ¼_  0 Au    y Œ ™ t  3 l w  Ù

¼– Ð ³ ð€   resonance– Ð ] jr ÷ &% 3 Ü ¼ 9 1×1 bulk { ç ß –  

?

/\ 
 è ß – . [33, 34] s  ½ ¨› ¸  H ¢ ¸ô  Ç Si(100) - 2 × 1 : H \ " f• ¸
 z Œ ¤Ü ¼
, Si(100) - 3 × 1 : H ³ ð€  \   H

 
t  · ú §l  M :ë  H \  2 × 1 : Hü < L :  F Mô  Ç 2 × 1 ³ ð€  



© œ_  dimer bondü < › ' aº   ) a  © œI – Ð ] jî ß –÷ &% 3  . [33] s  ü

@\  M˚ artensson 1 p x [17]“ É r ARUPS\  ¦ s 6   x # Œ heavily

n

⁺

- doped Si(100) wafer – РÒ'  % 3 “ É r two domain ³ ð€  

Õ

ªa Ë > 8. Photoemission spectra taken at (a) ¯ Γ and ¯ J

⁰_a,b

symmetry points and, (b) ¯ Γ, ¯ J

⁰_a

and ¯ J

⁰_b

symmetry points in the SBZ of Si(100) - 2 × 1 : 2 domain surface.

_

 Fermi ï  r0 A   H % ƒ\ " f ³ ð€    © œI \  ¦ › ' a¹ 1 Ï % i   H X <, ¯ Γ @ / g A& h õ  ¯ J

⁰_a,b

@ /g A& h  Â Ò   H \ " fë ß – s  Qô  Ç ³ ð€    © œI \  ¦ › ' a

¹

1 Ï % i  . s  ³ ð€    © œI   H ¢ ¸ô  Ç single domain\ " f• ¸ › ' a

¹

1 Ï ÷ &% 3 Ü ¼
 Õ ª y © œ• ¸  s `›   €  • # Œ é ß –t  ¯ Γ @ /g A& h   Ò



 H \ " fë ß – › ' a¹ 1 Ï÷ &% 3  . s  Qô  Ç Fermi ï  r0 A\ " f_  ³ ð€    © œ I

  H ‘ : r z  ´+ « >\ " f  H › ' a¹ 1 Ï÷ &t  · ú §€ Œ ¤ . Õ ª s Ä »  H z  ´+ « >

\

  6   xô  Ç r « Ñ heavily n

⁺

- doped ) a wafer   m % 3  l

 M :ë  H Ü ¼– Ð Ò q ty Œ • ) a  . Õ ªa Ë > 8-(b)\ " f ¯J

⁰a

@ /g A& h \ " f  H -0.7 eV, -1.3 eV, -1.8 eV, -3.3 eV \ " f  © œI [ þ t s  › ' a¹ 1 Ï÷ &

%

3 Ü ¼ 9, ¯J

⁰b

@ /g A& h \ " f  H -0.7 eV, -1.3 eV ü < -3.2 eV\ " f



© œI [ þ t s  › ' a¹ 1 ϝ ) a  . ¯J

⁰a

@ /g A& h \ " f › ' a¹ 1 Ï÷ &  H -1.3 eV ü <

-0.7 eV_   © œI   H y Œ •y Œ • ¯ J

⁰_a,b

\ " f › ' a¹ 1 ϝ ) a  © œI  A x 9  Bü <

Ä

»   . [011] @ /g A ~ ½ ӆ ¾ Óõ  [01¯ 1] @ /g A ~ ½ ӆ ¾ Ó\ " f Û ¼& 7 ˜à Ô

!

3 s  q 5 p w > 
 
  H s Ä »  H z  ´+ « >\   6   xô  Ç r « Ñ

two domain s % 3 l  M :ë  H s  . 7 £ ¤, domain a_   â Ä º [011]

~

½ ӆ ¾ ÓÜ ¼– Ð 8 £ ¤& ñ s  s À Ò# Q”   €   s  Û ¼& 7 ˜à Ô! 3 \  domain b_  [01¯ 1] @ /g A ~ ½ ӆ ¾ Ó_  Û ¼& 7 ˜à Ô! 3 s  [ O # Œ" f
 
l  M : ë

 H s  .   " f Si(100) - 2 × 1 : 2 domain ³ ð€  \ " f % 3 

`

 ¦ à º e ”   H & ñ ˜ Ѝ  H ô  Ç& ñ | ¨ c à º µ 1 Ú\  \ O  .

IV. + s Ç Â ] Ø

œ

í“ ¦”  / B N \ " f L :  F Mô  Ç Si(111) - 7 × 7 ³ ð€  õ  Si(100) - 2 × 1 : 2 domain ³ ð€  \  @ / # Œ ARUPS\  ¦ s 6   x # Œ F  g

„ 

  ì  rF  g ì  r$ 3 `  ¦ à º' Ÿ  # Œ % 3 “ É r    : r“ É r  6 £ § õ  ° ú   .

Si(111) - 7 × 7 ³ ð€  _   â Ä º SBZ_  ¯ Γ - ¯ M @ /g A ~ ½ ӆ ¾ Óõ  Γ - ¯ ¯ K @ /g A ~ ½ ӆ ¾ ÓÜ ¼– Ð 8 £ ¤& ñ ô  Ç Û ¼& 7 ˜à Ô! 3 Ü ¼– РÒ'  [ j > h_ 

³

ð€    © œI  S

¹

(-0.2 eV), S

2

(-0.8 eV), Õ ªo “ ¦ S

³

(-1.8 eV)

\

 ¦ S X ‰ “   % i Ü ¼ 9, Õ ª ×  æ \ " f S

3

 © œI   H €  •ô  Ç ì  rí ß –`  ¦
 

? /% 3  . ¢ ¸ô  Ç €  • -2 eV ∼ -5 eV % ò % i \ " f
 è ß – ¿ º > h _  x s ß ¼  H bulk  © œI \ " f f ” ] X  „  s \  _ ô  Ç x s ß ¼% i 



.

Si(100) - 2 × 1 ³ ð€  _   â Ä º ¯ Γ @ /g A& h \ " f_  ³ ð€    © œ I

  H €  • -0.5 eV\ " f › ' a¹ 1 Ï÷ &% 3 Ü ¼ 9 s  כ “ É r s „  \  › ' a¹ 1 Ï

÷

&% 3 ~   -0.7 eV x s ß ¼\  q K  €  • 0.2 eV & ñ • ¸ s  z Œ ¤



. [010] @ /g A ~ ½ ӆ ¾ Ó_   â Ä º ¯J

⁰a,b

@ /g A& h \  @ /K " f  H €  • -0.8 eV, -1.3 eV, -1.8 eV ü < -3.3 eV\ " f ³ ð€    © œI \  _  ô 

Ç x s ß ¼ › ' a¹ 1 Ï÷ &% 3  . -0.8 eV\ " f › ' a¹ 1 ϝ ) a ³ ð€    © œI 



 H ì  rí ß –s   _  { 9 # Q
t  · ú §€ Œ ¤Ü ¼ 9 €  • -1.3 eV\ " f › ' a

¹

1 ϝ ) a ³ ð€    © œI   H ì  rí ß –s  › ' a¹ 1 Ï÷ &% 3 “ ¦ Õ ª { ; Ÿ ¤“ É r €  • 0.8 eV% i  . -1.8 eV\ " f
 è ß – ³ ð€   resonance  H ¯ J

⁰_a,b

@ /g A

&

h `  ¦ l ï  r Ü ¼– Ð ì  rí ß –s  e ” % 3  . -3.3 eV\ " f › ' a¹ 1 ϝ ) a ³ ð€   resonance  H €  •ô  Ç ì  rí ß –s  › ' a¹ 1 Ï÷ &% 3  . [011] @ /g A ~ ½ ӆ ¾ Ó_ 

¯ J

⁰_a

@ /g A& h õ  [01¯ 1] @ /g A ~ ½ ӆ ¾ Ó_  ¯ J

⁰_b

@ /g A& h \ " f › ' a8 £ ¤ ) a - 0.7 eV ü < -1.3 eV_  x s ß ¼[ þ t“ É r [010] @ /g A ~ ½ ӆ ¾ Ó_  ¯ J

⁰_a,b

@ / g A& h \ " f 8 £ ¤& ñ  ) a -0.8 eV ü < -1.3 eV_  x s ß ¼[ þ t õ  ° ú  “ É r



© œI s  .

P c

p 8 ý ò k >

‘

: r ƒ  ½ ¨  H ô  Dz D G† < ÆÕ ü t”  < É ª F é ß –_  ×  æ& h ¹ ¢ ¤$ í ƒ  ½ ¨™ è t 

"

é

¶(2001-005-D00006) õ  ô  Dz D G õ † < ÆF é ß –_  t " é ¶(R05-2002-

000-00638-0) \  _ K  à º' Ÿ ÷ &% 3 l \  y Œ ™ × ¼w n m  .

Y c

p w Š à U Ø ”  ô

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The Electronic Structures of the Si(111) - 7 × 7 Surface and the Si(100) - 2 × 1 : 2 Domain Surface by Using Angle Resolved Ultraviolet

Photoelectron Spectroscopy

Kun-Ho Kim,

^∗

Tae-Gyun Im, Jeoung-Ju Lee, Jong-Duk Lee and Sang-Wook Han Department of Physics and the Research Institute of Natural Science,

Gyeongsang National University, Chinju 660-701

Jae-In Chung

The Research Institute of Science and Technology, Pohang 790-330

Jeong-Soo Kang

Department of Physics, The Catholic University of Korea, Bucheon 422-743 (Received 4 August 2003)

The electronic structures of the Si(111) -7 × 7 and the Si(100) - 2 × 1 : 2 domain surfaces were studied by using angle–resolved ultraviolet photoelectron spectroscopy with 21.2 eV or 16.85 eV photons. Three surface states were identified at -0.2 eV (S

1

), -0.8 eV (S

2

), and -1.8 eV (S

3

) below the Fermi level, from the spectra measured along the ¯ Γ - ¯ M and the ¯ Γ - ¯ K symmetry directions in the surface Brillouin zone (SBZ) of the Si(111) - 7 × 7 surface, and only the S

³

state had a weak dispersion. Two weak features originated from the direct transition in the bulk valence band appeared at about -2 eV and ∼ -5 eV below the Fermi level. A strong surface state was observed at about -0.5 eV below the Fermi level in the photoemission spectrum taken from the ¯ Γ symmetry point of the SBZ of the Si(100) - 2 × 1 surface. Four surface states, about -0.8 eV, -1.3 eV, -1.8 eV, and -3.3 eV below the Fermi level, were observed in the spectra taken from the ¯ J

⁰_a,b

symmetry point of the SBZ of the Si(100) -2 × 1 surface. The state at -1.3 eV had dispersion with a bandwidth of about 0.8 eV. The surface state at -1.8 eV and the surface resonance state at -3.3 eV also had weak dispersions, but the state at -0.8 eV had no dispersion. The peaks observed at about -0.7 eV and -1.3 eV below the Fermi level measured at the ¯ J

⁰_a

and the ¯ J

⁰_b

symmetry points were the same states of -0.8 eV and -1.3 eV measured at the ¯ J

⁰a,b

point.

PACS numbers: 68.35

Keywords: ARUPS, Si(111) - 7 × 7, 2-domain, Surface electronic structure, Si(100) - 2 × 1

∗

E-mail: [email protected]