A A I HO I HO C QUO C QUO C GIA THA C GIA THA NH PHO NH PHO HO HO CH CH MINH MINH

TR TR NG NG A A I HO I HO C KHOA HO C KHOA HO C T C T NHIEN NHIEN

GS.TS. Le Kha GS.TS. Le Kha c B c B nh nh
2006 2006
NU
NU

l 0UNU MUN HU
l 0UNU MUN HU

L
L
I. :. :e :a: -a.
8. t.e ee: :--, :. :e :a: -a.
3. aa- a-, :xa a, :. :e.
4. :: :a: .e: :xa :a: -a.
5. e: ete::-- :x a- :--, e. t-a..
6. a, txs, :xa ete::-- :--, :. :e :a: -a.
7. :a: :a: Ja aa a.e.
x. :: :a: :x :xa :a: -a.
?. :.ex aa.
Tnh chat vat ly cua chat ran
2 cach tiep can :
1. Xay dng mo hnh n gian va da vao cac nh luat c ban
a biet e suy ra tnh chat.
2. Xuat phat t tnh chat a biet cua cac nguyen t rieng le
va xet xem cac tnh chat o thay oi nh the nao khi a cac
nguyen t lai gan nhau e tao thanh chat ran.
SA SA CH THAM KHA CH THAM KHA O O
1. Christman J. R., Fundamentals of Solid State Physics,
John Wiley & Son , 1988
2. Kittel Charles , Introduction to Solid State Physics,
Seventh Edition, John Wiley & Son Inc., 1996
7o
7o

l 1
l 1
1) ooq tloh the.
z) Coa teae tloh the eao mct sc tloh the co
qloo.
+) (hoo tteh eoa teae tloh the looq phacoq
phop ohlea ao tlo .
Lo Lo t t loo loo tho tho l l ro ro n n
Vat lieu ket tinh: cac nguyen t sap xep tuan
hoan trong khong gian
* n tinh the: cac nguyen t sap xep tuan
hoan trong toan khong gian cua vat lieu
* a tinh the: gom nhieu tinh the nho hoac hat
Vat lieu vo nh hnh: cac nguyen t sap xep
khong tuan hoan trong khong gian
a tinh the
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
l. Lo l. Lo u u lru lru t t lnh lnh lhz lhz
=
+
Cau truc tinh the = mang tinh the + c s
Tinh the la s sap xep tuan hoan trong khong gian cua
cac nguyen t hoac phan t
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
ll. Mo ll. Mo ng ng lnh lnh lhz lhz
- vecto t{nh ten co so
co the chon tuy y
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
1
a
r
2
a
r
3
a
r
j Mo j Mo lo lo Mo Mo ng ng lnh lnh lhz lhz
vect tnh tien cua mang tinh the
Tuy cach chon
n
1
, n
2
va n
3
co the la so nguyen hoac so phan
vTat ca n
1
, n
2
va n
3
eu la so nguyen :
cac vect - vect tnh tien nguyen to
vCh mot trong cac so n
1
, n
2
va n
3
khong phai so nguyen :
cac vect - vect tnh tien n v
Cach 1 :
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
3 3 2 2 1 1
a n a n a n T
n
r r r
r
+ + =
3 2 1
a , a , a
r r r
3 2 1
a , a , a
r r r
3 2 1
a , a , a
r r r
Cach 2 : O nguyen nguyen to va o n v
O nguyen to c tao thanh t cac vect
nguyen to .
O n v t cac vect n v .
v O nguyen to ch cha mot nut mang.
v O nguyen to co the co cac dang hnh hoc khac nhau
nhng luon co the tch nho nhat va bang nhau.
Mo Mo lo lo Mo Mo ng ng lnh lnh lhz lhz
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
3 2 1
a , a , a
r r r
3 2 1
a , a , a
r r r
Ij 5 Ij 5u u d do o x xu u ng ng tu tu o o mo mo ng ng lnh lnh lhz lhz
Yeu to do xung : phep ben do khong gun lum
cho mung tnh the trung lu vo chInh no.
v Oo xung t{nh ten
v Cuc truc quuy C
1
, C
2
, C
3
, C
4
vu C
6
.
v Mut phung phun xu guong m.
v Tum duo .
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
a
a
a
n
a
n
a + 2acos a
n
n
2
n
p
= a
1+2cosa
n
= so nguyen hay 2cosa
n
= so nguyen
cosa
n
a
n
C
n
-1
-0,5
0
0,5
1
2p/2
2p/3
2p/4
2p/6
2p/1
C
2
C
3
C
4
C
6
C
1
5 5 lru lru t t quoy quoy lrong lrong lnh lnh lhz lhz
Truc quay cap n :
quay quanh truc goc
mang tinh the trung vi chnh no
V sao khong co truc 5 va truc 7 trong tinh the chat ran ?
Moi he tinh the co mot tap toi thieu
cua cac yeu to oi xng
C
1
( khong )
C
2
hoac ( C
2
+ I )
3 truc C
2
hoac ( C
2
+ I )
C
3
hoac ( C
3
+ I )
C
4
hoac ( C
4
+ I )
C
6
hoac ( C
6
+ I )
4 truc C
3
Tam ta
n ta
Trc thoi
Ba phng
Bon phng
Sau phng
Lap phng
So yeu to oi xng toi thieu He tinh the
I I Hz Hz lnh lnh lhz lhz
Jj Lo Jj Lo t t mo mo ng ng lnh lnh lhz lhz to to o o n n . . Mo Mo ng ng Brovot Brovot
Cuch chon cuc vecto cuu Bruvus :
1. O co tInh do xung cuo nhut cuu he mu tnh
the duoc xep vuo .
2. O co so goc vuong lon nhut houc so cunh
bung nhuu vu so goc bung nhuu nheu nhut.
3. O co the tIch nho nhut ( o nguyen to )
Neu khong the thoa man ong thi 3 tnh chat o th
chon cac vect theo th t u tien 1, 2, 3.
Ch co 7 dang o n v co the dung e lap ay khong gian
cua mang tinh the.
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
3 2 1
a , a , a
r r r
3 2 1
a , a , a
r r r
Mo Mo ng ng lnh lnh lhz lhz ho ho thz thz u u
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Mang ac iem cua o
Mang nghieng a
1
a
2
; g 90
o
Mang luc giac a
1
= a
2
; g = 120
o
Mang vuong a
1
= a
2
; g = 90
o
Mang ch nhat a
1
a
2
; g = 90
o
Mang ch nhat tam mat a
1
a
2
; g = 90
o
Tnh lhz o thzu k o Brovot
He tam ta
He n ta
He trc thoi
He ba phng
He bon phng
He sau phng
He lap phng
Mong lnh lhz o thzu
a
1
= a
2
= a
3
;
a = b = g < 120
o
,90
o
He tam ta
O P
He n ta
He trc thoi
He ba phng
He bon phng
He sau phng
He lap phng
O P O C
O P O C O I O F
O P
O P O I
O P
O P O I O F
a
1
a
2
a
3
;
a b g
a
1
a
2
a
3
;
a = b = 90
o
g
a
1
a
2
a
3
;
a = b = g = 90
o
a
1
= a
2
a
3
;
a = b = g = 90
o
a
1
= a
2
a
3
;
a = b = 90
o
; g = 120
o
a
1
= a
2
= a
3
;
a = b = g = 90
o
1
a
r
2
a
r
3
a
r
1
a
r
2
a
r
a
b
g
LP I : 2 nut
LP F : 4 nut
5o 5o nu nu l l lrong lrong o o d don on vj vj
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Mang lap phng tammat
co the c lap ay bi cac
o lap phng hoac o mat
thoi.
O C thuoc he bon phng
co the c mo ta bi o P
cua he bon phng.
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Cach ve o Wigner-Seitz
O Wigner-Seitz cua
mang lap phng I
U U nguyzn nguyzn lo lo Wgnzr Wgnzr 5zlz 5zlz
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
V tr cua 1 nut nao o cua mang, oi vi goc toa o a chon,
c xac nh bi 3 toa o x , y , z cua no. Cac toa o o c
viet bang
x = h a
1
, y = k a
2
va z = l a
3
trong o a
1
, a
2
, a
3
la cac thong so cua mang va h, k val la cac
so nguyen .
Neu lay a
1
, a
2
, a
3
lam n v o o dai doc theo cac truc cua
mang th toa o cua nut se la cac so h, k va l . Cac so o c
goi la ch so cua nut va c ky hieu la [[h k l]] hay hkl.
1. Ch 1. Ch so so Miller Miller cu cu a a nu nu t t ma ma ng ng tinh tinh the the
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
kj Lh kj Lh to to Mllzr Mllzr
Chieu cua mot ng trong mang co the
xac nh bang cach ve ng song song
vi ng o qua goc.
Ch so Miller cua ng la toa o cua
iem au tien ma ng i qua.
Neu toa o cua iem o la u, v, w th
chieu cua ng se la [uvw].
Theo quy c, ngi ta dung tap cac so nguyen nho nhat.
[ 1] , [1 1 2] va [2 2 4] ch cac chieu tng ng, nhng ngi ta
dung [1 1 2].
Cac ch so am c viet vi dau ngang tren au.
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
2. Ch 2. Ch so so Miller Miller cu cu a a chie chie u trong u trong tinh tinh the the
V tr cua mot mat c xac nh bi 3 iem ma mat o cat
3 truc toa o.
A
B
x
y
z
C
O
Cach xac nh ch so Miller cho mat :
- bieu th o dai t goc toa o en cac
giao iem o theo n v cua thong so
mang : A , B va C.
- lap nghch ao
- quy ong mau so . Gia th mau so
chung nho nhat la D.
- cac so nguyen
h = D /A , k = D /B va l = D / C
la cac ch so Miller cua mat va c ky
hieu bang ( h k l ).
1
C
z
B
y
A
x
= + +
D lz ky hx = + +
D = hA = kB = lC
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
3. Ch 3. Ch so so Miller Miller cu cu a a ca ca c ma c ma t trong t trong tinh tinh the the
Mot ho mut song song vu cuch deu nhuu duoc
beu th{ bung cuc ch so Mller nhu nhuu.
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Ch Ch so so Miller Miller cu cu a a ca ca c ma c ma t trong t trong tinh tinh the the
Ho mat co ch so Miller cang nho co khoang cach gia
hai mat ke nhau cang ln va co mat o cac nut mang
cang ln
Khoa Khoa ng ng ca ca ch ch gi gi a a ca ca c c ma ma t t ( ( hkl hkl ) )
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Vi he lap phng :
+ [ hkl ] vuong goc vi (hkl)
Mot vai tnh chat ang nh :
* (hkl) bieu th cho mot ho mat song song vi nhau
* Mat (hkl) gan goc toa o nhat cat cac truc toa o
h
a
1
k
a
2
l
a
3
2 2 2
hkl
l k h
a
d
+ +
=
x
y
z
O
l
a
3
k
a
2
h
a
1
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
ClCs
Tnh the = Mung Bruvus + co so
ClNa
Km cuong
0 0 0 & 0 0
0 0 0 &
0 0 0 &
lll. Lo lll. Lo u u lru lru t t lnh lnh lhz lhz tu tu o o mo mo l l to to lnh lnh lhz lhz d don on go go n n
Mang Bravais : lap phng tam mat F
C s : gom 2 nguyen t ( 0,0,0 ) va (1/4,1/4,1/4 )
O n v cha 8 nguyen t
He so lap ay : 0, 34 : mang kim cng khong thuoc loai
mang xep chat
So phoi tr k = 4
Ket tinh theo mang kim cng co C , Si , Ge ,thiec xam ...
0
0
1/ 2 1/ 2
1/ 4
1/ 4 3/ 4
3/ 4
0
0
0
1/ 2
1/ 2
Mo Mo ta ta ca ca u u tru tru c c Kim Kim c c ng ng
Lo Lo u u lru lru t t xz xz p p tho tho l l
Cac cach sap xep cac qua cau ran
nh nhau trong khong gian sao cho
phan trong con lai gia chung la nho
nhat : lp di cung, cac qua cau
c xep chat tren mot mat phang
khi moi qua cau tiep xuc vi 6 qua
cau xung quanh
Lo Lo u u lru lru t t xz xz p p tho tho l l
Lp di cung : lp A
Lp th hai : Lp B
Co hai cach xep lp th ba :
Lou lrut xzp thol
ABABAB
Luc giac xep chat
ABCABCABC...
Lap phng tam mat
Lo Lo u u lru lru t t xz xz p p tho tho l l . FLL . FLL
FCC: Th t sap xep ABCABCABC...
Mat th ba c at tren cac cho lom cua mat th nhat
ma mat th hai khong chiem.
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Lo Lo u u lru lru t t xz xz p p tho tho l l . FLL . FLL
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Lo Lo u u lru lru t t xz xz p p tho tho l l . FLL . FLL
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Lo Lo u u lru lru t t lu lu t t go go t t xz xz p p tho tho l l . HLP . HLP
HCP: Th t sap xep ABABAB...
Mat phang th ba c at thang tren mat au tien
cua cac nguyen t
Mo lo tou lrut Lut got xzp thol

Mang Bravais : luc giac P

C s : gom 2 nguyen t nh nhau ( 0,0,0 ) va ( 2/3,1/3,1/2 )
He so lap ay ( bi cac qua cau ) : 0,74 .
Ty so a
3
/a
1
= ( c / a ) = 1,633
So phoi tr : k = 12.
a
Lo Lo u u lru lru t t lu lu t t go go t t xz xz p p tho tho l l . HLP . HLP
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Lo Lo u u lru lru t t lu lu t t go go t t xz xz p p tho tho l l . HLP . HLP
C S C S VA VA T LY T LY CHA CHA T RA T RA N N
Khong the phan biet c
cac chi tiet be hn bc
song cua bc xa ma ta
dung e quan sat chung.
Khoang cach cua cac
nguyen t trong tinh the
ch vao khoang .
Muon quan sat c cau
truc ben trong tinh the can
dung nhng bc xa co
bc song c .
Tia X
Ntron
Electron
B

c

s
o
n
g

,

A
Nang lng photon X , keV
Nang lng ntron , 0,01 eV
Nang lng electron ,100 eV
lV. Phon lth tou lrut lnh lhz ong
phuong phop nhzu xo lo X
) eV ( E
28 , 0
) eV ( E
28 , 0
Tia X :
l(A
0
) =
Vi chum neutron
l(A
0
) =
Vi chum electron
l(A
0
) =
) eV ( E
28 , 0
) eV ( E
12
) (
4 , 12
keV E
Tia X
Ntron
Electron
B

c

s
o
n
g

,

A
Nang lng photon X , keV
Nang lng ntron , 0,01 eV
Nang lng electron ,100 eV
1) S 1) S nhieu nhieu xa xa t t mo mo t t ho ho ma ma t t cu cu a a ma ma ng ng tinh tinh the the
nh luat Bragg
Giao thoa tang cng khi
Cong thc Bragg : he qua cua tnh chat c ban cua tinh the la tnh tuan hoan ma
khong lien quan g en thanh phan hoa hoc cua tinh the cung nh cach sap xep
cua cac nguyen t trong nhng mat phang phan xa.
nh luat Bragg
nh luat Bragg
Giao thoa tang cng khi
Nam 1915 hai cha con nha ho
Bragg c giai thng Nobel ve
nhng ong gop trong lnh vc
phan tch cau truc tinh the bang
phng phap nhieu xa tia X.
Nam o W.L. Bragg mi 25 tuoi,
la ngi tre nhat c giai thng
ln nay.
sinh vien trng Cambridge
Chieu tinh the vi tia X n sac thng khong cho cac tia
nhieu xa v e thoa man cong thc Bragg can chieu tia X
theo mot chieu nhat nh vi bc song xac nh mi co
nhieu xa t mot ho mat nao o.
Da vao cong thc Bragg 2dsinq = nl
co the s dung cac phng phap sau :
gi nguyen goc ti , thay oi bc song :
Phng phap Laue
Gi nguyen bc song, thay oi goc ti :
Phng phap tinh the quay
Phng phap Debye Schrerrer ( phng phap bot )
Nguon
tia X
trang
2) Ph 2) Ph ng ng pha pha p p Laue Laue
Collimator
Tinh the
co nh
Phim chup
tia X
Phim chup ngc Phim chup thuan
Tia X
Anh nhieu xa Laue cua Si
theo chieu [001]
Mot iem tng ng vi mot ho mat tinh the
Tinh the
Tia X ti
Phuong phop Louz
3) Ph 3) Ph ng ng pha pha p p tinh tinh the the quay quay
Phuong phop ol
Phuong phop ol
Buong Debye-Scherrer
Cong ra
Gia lap mau
Cong vao
Can khoa an toan
Ong chuan truc
4) Ph 4) Ph ng ng pha pha p p bo bo t t
Phuong phop ol