HAL Id: jpa-00221171
https://hal.archives-ouvertes.fr/jpa-00221171
Submitted on 1 Jan 1981
HAL is a multi-disciplinary open access
archive for the deposit and dissemination of
sci-entific research documents, whether they are
pub-lished or not. The documents may come from
teaching and research institutions in France or
abroad, or from public or private research centers.
L’archive ouverte pluridisciplinaire HAL, est
destinée au dépôt et à la diffusion de documents
scientifiques de niveau recherche, publiés ou non,
émanant des établissements d’enseignement et de
recherche français ou étrangers, des laboratoires
publics ou privés.
PHONON DISPERSION AND THERMOPHYSICAL
PROPERTIES OF SODIUM
O. Gupta
To cite this version:
JOURNAL DE PHYSIQUE
CoZZoque C 6 , suppZ6ment au n o 12, Tome 42, d6centbre 1982 page C6-380
PHONON DISPERSION AND THERMOPHYSICAL PROPERTIES OF SODIUM
O.P. Gupta
Physics Department, J . Christian CoZZege, AZZahabad, India.
A h s t r a c t
.-
An e q u i l i b r i urn c o n d i t i o n , w h i c h p r e s e r v e s t h e c r y s t a l-
----
s t a b i l i t y , is d e r i v e d . T h i s c o n d i t i o n i n c o n j u n c t i o n w i t h r e c e n t d y n a m i c a l model i s employed t o s t u d y t h e phonon d i s p e r s i o n a n d t h s r m o p h y s i c a l p r o p e r t i e s o f h'a. T h e t h e o r e t i c a l r e s u l t s are i n g o o d a g r e e m e n t w i t h t h e e x p e r i m e n t a l v a l u e s . 1.
-
I n t r o d u c t i o n . ---
---
--
--
-
S o d i u f n i s k - l i e v e d t o r e p r e s e n t i n many r e s p e c t s t h e p r o t o t y p e of a f r e e e l e c t r o n m e t a l . ThFI e x p e r i m e n t a l r e s u l t s o n e l a s t i c c o n s t a n t s h ,J
and t h e i r p r e s s u r e d e r i v a t i v e s [ l , 3-3 , s p e c i f i c h e a t L 6 - 4 Dehye-Wal l e r (UW) f a c t o r [lg,
a n d t h e r m a l e x p a n s i o nE,
4 , 1 2 - 1 4 c a n ke u s e d t o t e s t t h e r e a s o n a b l e n e s s o f t h e i n t e r p r e t a t i o n i n terms of the f r e e e l e c t r o n model of Na. Tn t h e p r e s e n t p a p e r , we r e p o r t t h e p h o n o n d i s p e r s i o n , a n d t e m p e r a t u r e d e p e n d e n c e o f Dcbye t e r n 2 e r a t u r e@
,
DW f a c t o r , a n d G r i i n e i s e n p a r a m e t e r y o f N a o n t h e b a s i s of r e c e n t d y n a m i c a l modelb$
i n c o n j u n c t i o n w i t h an e q u i l i b r i u m c o n d i t i o n . T h e c o n d i t i o n , w h i c h p r e s e r v e s t h e c r y s t a l s t a b i l i t y , i s d e r i v e d by c o n s i d e r i n g Fermi, e x c h a n g e , a n d c o r r e l a t i o n e n e r g y o f c o n d u c t i o n el e c t r o n s.
2. Xode1.- F o r e q u i l i b r i u m , t h e f i r s t d e r i v a t i v e o f t h e p o t e n t i a l e n e - rqy E ( = E~+
E ~ ) o f t h e c r y s t a l must v a n i s h , i . e . , e ( d E L / d n ) a-
P = 0 , w h e r e -pe = dEe/&fi, (1) ew h e r e & i s c r y s t a l volume, P t h e e l e c t r o n p r e s s u r e , E" t h e p o t e n t i a l e n e r g y d u e t o i o n - i o n i n t e r a c t i o n , a n d E~ t h e e l e c t r o n e n e r g y . The F e r m i , e x c h a n g e , a n d c o r r e l a t i o n
bd
p a r t s o f E@ c a n be w r i t t e n a s : The e ~ u i l i b r i u m c o n d i t i o n E q n . i l ) w i t h t h e a i d o f Eqn.(2) t a k e s t h e w h e r e a. is the Bohr r a d i u s , L t h e c h e m i c a l v a l e n c e ,ro
t h e i n t e r e l e c t r o n s p a c i n g , a n d A . ( j = 1,2) a r e t a n g e n t i a l p a i r p o t e n t i a l f o r c e 3 c o n s t a n t s . S o l u t i o n o f Eqns. (12-15b5]
,3) d e t e r m i n e t h e unknown f o r c ec o n s t a n t s i n t e r m s o f e l a s t i c c o n s t a n t s Ci and o n e ZB f r e q u e n c y . 3 . N u m e r i c a l Computation.- E x p e r i m e n t a l v a l u e s o f C a n d o t h e r p a r a - i j meters a t 90 K u s e d i n c a l c u l a t i o n s a r e : Cll= 0.808, C12= 0 . 6 6 4 , Cs4= 0.586 ( a l l i n u n i t s of l o l 1 d y n
u ,
a = 4.248,
d e n s i t y = 1 . 0 0 1 4 gm ~ m ' ~ , yT( 100)=3.58 THz,
a n d (m*/m) = 1.0@a
.
The c a l c u l a t e d v a l u e s o f t h e f o r c e c o n s t a n t s are: A1= 2.792, B = -1.923, A = 0.021,B2= -5.301, 1 2a n d a K e = 11.588 ( a l l i n u n i t s o f
lo3
d y n an-'). The. phonon d i s p e r s i o n , l a t t i c e s p e c i f i c h e a t , and DW f a c t o r a r e c a l c u l a t e d a s u s u a l [15].
To c a l c u l a t e r,
w e £011-ow o u r paper[l:19).
I n t h e p r e s e n t scheme t h e f o u r p a r a m e t e r s (A1, A2, B1, B2) a r e r e d u c e d t o t h r e e ( A 1 , B1, B2) by t a k i n g a s u i t a b l e r a t i o of A1 /A2 w h i c h g i v e s a b e t t e r f i t o f phonon d i s p e r s - i o n . I n t h e p r e s e n t c a l c u l a t i o n s , w e u s e dC /dP v a l u e s borrowed i j f r o m r e c e n t p a p e r sp,
3 - g,
a n d t e m p e r a t u r e d e p e n d e n t v a l u e s of C 127 a n d l a t t i c e p a r a m e t e rkd
.
ij 4.---
R e s u l t s--
and D i s c u s s i o n---
.-
W e d i s p l a y o u r t h e o r e t i c a l r e s u l t s f o r phonon d i s p e r s i o n a l o n q w i t h t h e e x p e r i m e n t a l v a l u e s [17] i n F i g . 1. The a g r e e m e n t b e t w e e n t h e o r y a n d e x p e r i m e n t i s v e r y g o o d - L a t t i c e s p e c i f i c - PeES6NT CALCULI\IION EXPERIMENTAL Poll-5 0.
N A R l l N FICW A N I MARTIN + msERI5 A 51MOW A M ZEIOLBI) A PARWNSON A M O U A R R I M T Mi
r U 20 40 60 80 TCKi- 100 Fiq.2: Debye t e m p e r a t u r e o f Na a s a f u n c t i o n of t e m p e r a t u r e . ' 2 ' i h e a t e x t r a c t e d f r o m e x p e r i m e n t s REDUCED WAVE VECTOR 5FicJ.l:Phonon d i s p e r s i o n c u r v e s of
b-14
a n d o u r t h e o r e t i c a l r e s u l t s-
N a a l o n g t h e symmetry d i r e c t i o n s . a r e c o n v e r t e d i n@.
T h e s e aret
p l o t t e d i n F i g . 2. T h e t h e o r y LOO-
THEORETICA CURVE e x h i b i t s good a g r e e m e n t w i t h t h e e x p e r i - ments down t ol o
K . The v a r i o u s measure- m e n t s a r e n o t v e r y c o n c o r d a n t w i t h o n e a n o t k r . C r y s t a l l o g r a p h i c t r a n s f o n n a - t i o nGI,
2 4 f rom b c c t o h c p l a t t i c e p h a s e a r o u n d 35 K c a u s e s u n c e r t a i n t y i n t h e e x p e r i m e n t a l measurements a n d a f f e c t s o u r c o m p a r i s o n . I n F i g . 3 , t h e c a l c u l a t e d DW f a c t o r s a l o n g w i t h t h e e x p e r i m e n t a l p o i n t s o f Dawtonpq
a r eshown. The a g r e e m e n t between t h e o r y a n d F i g . 3 : DW f a c t o r of Na e x p e r i m e n t i s good. F i g . 4 e x h i b i t s t h e
-.
-
C6-382 JOURNAL DE PHYSIQUE r I
,
v a l u e s d e r i v e d f r o m t h e e x p e r i m e n t a l F i g . 4 : G r i i n e i s e n p a r a m e t e r o f N a a s a f u n c t i o n o f t e m p e r a t u r e . PRESNTS CALCULATDNS - 0 A N l m 5 - - M A R T I E O N,. -.-HO AND RafF
-.. --'- COULIWARO 1.2- 0 TO m e a s u r e m e n t s o f t h e r m a 1 e x p a n s i o n
P
, 4 , 1 2 - 1 4 a n d s p e c i f i c h e a t c8] d a t a . I t i s shown f r o m t h e F i g . 4 t h a t t h e g e n e r a l s h a p e of t h e t h e o - ret i c a l a n d e x p e r i m e n t a l Y -T/@
c u r v e s i s s i m i l a r i n s p i t e o f t h e f a c t t h a t t h e m e a s u r e d v a l u e s a r e n o t v e r y c o n c o r d a n t w i t h o n e a n o t h e r . I t i s d i s c o n c e r t i n g t o f i n d t h a t how 0.4- much t h e t h e o r e t i c a l r e s u l t s d e v i a t e f r o m t h e e x p e r i m e n t a l p o i n t s d u e 0 :152.51(-
EXPERIHENT~L Wmn A MARTIN HO A N 0 RUOFF A CORRUCClNl AND G N l E W Y T BEECROFT &NO SWENSON0- I 0 SIEGEL AND OUlMBI
t o l a r g e s c a t t e r i n e x p e r i m e n t a l v a l u e s . Our r e s u l t s c o r r o b o r a t e t h e 0 5 1.5 2 B a r r o n ' s
[23
p r e d i c k i o n t h a t r e m a i n s c o n s t a n t t o a f e w p e r c e n t down t o a b o u t@
/ 3 . T h e p r e s e n t s t u d y d e m o n s t r a t e s t h a t t h e s i m 2 l e model p m v i d e s a g o o d o v e r a l l u n d e r s t a n d i n g o f phonon d i s p e r s i o n a n d t h e m o p h y s i c a l p r o p e r t i e s of Na. R e f e r e n c e s[I] Daniels,W.B., P h y s . R e v . ~ ( 1 9 6 0 ) 1246; Quimby, S.L. a n d S i e g e l , S . ,
F h y s . Rev.
54
( 1 9 3 8 ) 293, 7 6 .a
Diederich,ikl. a n d T r i v i s o n n o , J . , J . P h y s . C h e m . S o l i d s =( 1 9 6 6 ) 637. 131 M a r t i n s o n , R.H., P h y s . Rev. 1 7 2 ( 1 9 6 9 ) 902.141 H0,P.S. a n d Ruoff ,A.L., J . ? h f s . Chem. S o l i d s E ( 1 9 6 8 ) 2101.
[5] C o u l t h a r d , X.H., J. P h y s . s ( 1 9 7 0 ) 8 2 0 . [fj RobeP&, L.X., P r o c . P h y s . S o c .
23
( 1 9 5 7 ) 7 4 4 . 17) F i l b y , Z . D . a n d Martin,D.L., P r 0 c . R . S o c . ( 1 9 6 3 ) 1 8 7 . [8] N a r t i n , D.L., P r o c . R. S o c . ( 1 9 6 0 ) 4 3 3 . 193 S i m o n , F . a n d Z e i d l e r , W . , P h y s . Chem. a ( 1 3 2 6 ) 383.[lo3
P e r k i n s o n , D . Y . and S u a r r i n q t o n , J . E . , P r o c . P h y s . S o c . g ( 1 9 5 5 ) 7 6 2 .[la
Dawton, R.H.V.K., P r o c . P h y s . Soc. 43 ( 1 9 3 7 ) 294.( 1 4 B e e c r o f t , R . 1
.
a n d Swenson,C.A.,~ . P h ~ s
. ~ % m . ~ o l i c l s . ~ ( l 9 6 1 ) 329. t l 3 ] M a r t i n , D.L., Phys. Rev.139
( 1 9 6 5 ) A150.[lq
C o r r u c c i n i , R . J. a n d Gniewek, J . J . , T h e r m a l E x p a n s i o n o f T e c h n i c a l S o l i d s a t low T e m p e r a t u r e s , NBS. W a s h i n g t c n ( 1 9 6 1 ).
hd
Gupta,O.P. a n 6 Hemkar, R . P . , I1 Nuovo C i r n e c t oS E
( 1 9 7 8 ) 255. [Id G e l l n a n , M . a n d Brueckr,er,K . A e , Fhys.Rev.106
( 1 9 5 7 ) 3 6 4 .[.73t.;oods,~.D.R., I?rockhouse,R.N., Harch,R.H., S t e w a r t , A . T . and Bowers,
R . , P h y s . Rev. l 2 3 ( 1 9 6 2 ) 1 1 1 2 .
~ e a i r e , ~ .
,
F r o c . P h y s . S o c .Z
41967) 356.1191 ~ h a ~ ~ o , H . L . , Ou;;ta,C.P
.
a n 3 Hemkar,W . P . , Z.Phys.Chem -801 i d s2
(i978) 4 5 .
l2d P e a r s o n , W.B., A 5 a n d h o c k o f L a t t i c e S ~ a c i n g s an? S t r u c t u r e o f I l e t a l s a n d A l l o y s i ~ e r g a m o n : hY, 1 5 5 9 ) .
b f l B a r r e t , C.S., A c t a C r y s t . 9 ( 1 9 5 6 ) 671.
[2a s t e r n , E . A . , P h y s . Rev. ( 1 9 6 1 ) 397.
[ 2 3 B a r r e n , T.H.K., P h i l . Kag.