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    Scherrer Formula

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    debanjan.arya

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    © All Rights Reserved
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    NOVEMBER 15, 1939 PHYSICAL REVIEW The Scherrer Formula for X-Ray Particle Size Determination A. L, Patrensox Department of Physics, Bryn Mater College, Brow Maser, Pennsyivonia (Received July 2 1939) ‘An exact derivation ofthe Schereer equation i given for particles of spherical shape, values of the constant for half-value breadth and for integral breadth being obtained, Various ap- proximation methods which have been used are compared with the exact calculation. The tangent plane approximation of v. Laue is show to be quite satisfactory, ut some doubt ix cast on the use of approximation functions, I is tee particle based on the tangent plane approximation will pe work. 1, IntRopuction 'N 1918, P. Scherrert showed that, when parallel monochromatic radiation falls on a random oriented mass of crystals, the diffracted beam is broadened when the particle size is small By an approximation method he obtained an expression for the half-value breadth B of the diffracted beam in the form B=K/(L cos x/2), a in which » is the wave-length of the incident xcrays, L the linear dimension of particle, x/2 the Bragg angle and K a. numerical constant for which he obtained the value 2(In 2/x) Since then, various workers'* using different approximation methods and different definitions for the breadth B have obtained different values for the constant K. As a result, those interested in using the relation (1) for the determination of particle size have rightly been in doubt as to its correct value, ‘The results of the preceding paper in this iscue? include as a special case the interference function for a spherical particle. For this par- ticle, the calculation of the distribution in angle of the diffracted beam can be carried through exactly, and a value of the Scherrer constant can be obtained. The approximation methods of ‘other authors are also applicable in this case, and consequently it is possible to obtain an estimate ZB, Scherrer, Ginger Nachricht (1918); alo ‘algnoniy, Koliotehomie (rd E1920), EN" Schakow, Zits , Physik 51, 439: 33, 648 (1925) $M, w Lauer Zits. rst 04, 118 1920) HC. locks Py, Rev. 38, 8 0830. EW. Braggs The Craline Slate, Vol . 189. TE-W. Jones Proc: Koy Sac. AL6S, 16 (988) 18.1 Paterson. 912, hereafter ete that the calculation forthe ellipsoidal ‘2 satisfactory basis for future of their validity by comparison with the exact calculation. 2, Exact CALCULATION oF J(x) Following v. Laue? Eq. (28) and confining our attention to the contribution from one whole numbered point (A;=2ii) we may write, in the notation of I (Eq. (17¢) etc.) Joo= ff fiixworrartto) XdA@Aedds, (2a) kM =DAib, (ov) Ups MiQzhi Ad, (26) in which the integration (2a) is taken between the spheres &[H| and (&-+A#)|H{|. J(x) is then a quantity proportional® to the intensity of the x-rays scattered through an angle x by a random oriented mass of crystal particles of uniform size, each of which has a shape function ¥(U%). We shall confine ourselves here to the simple is cubic of translation Mi=M, We may then ALA’ [DA abil * (3a) [2xEhbiteVLhe= on’, (8b) 2xTibi-EAdi|*=RE/ Mat, (3c) PECQrh—A)=EUE. (3d) 40, has pointed out that ct in (a) ta constant only for sal jong of x, fe, in the neighborhood of a whole- ttumbered point. Italo contains factors which depend on ‘heparlee and anne bowed decay na dsanson fe Grit of pari re "These conditions Are not necessary for the integration of (2a). More general conditions can be set Up, but 80 far ho practical use has been made of thems, 978. SCHERRER FORMULA Under such conditions, we may transform the integral (2a) to polar coordinates (p, 3, ¢) with the vector G (cf. v. Laue Eq. (28a) and Enq. (8) below) as polar vector, when it takes the form ff eworaeiety Xpt sin adpdode. Joe f ‘The integration with respect to p can be carried immediately and we obtain Jor=at ff" e(uaitsin odode, subject to the condition Ret (Mia? =H |H1|*+pxt—2k| | p, cos ¥. (Sa) To integrate this expression, we must be able to ‘write the Usin terms of the polar coordinates. If, as in the case of a spherical particle, ¥(U,) is a function of Ry alone and is independent of ¢ (cf. I Table I), we can integrate directly with respect to g, and make the change of variable M'a'h|H|pysin 9d0—RaRy. (5b) We then have (omitting a factor which is con- stant for a given whole-numbered point) Joo= f * wo FRR, © in which. . S=sin (xn/2)—sin (x/2), (Ta) sin (x/2)+sin (x/2), (Tb) A=2Maks, (re) L=2Make. (id) ‘The exact evaluation of this integral for the spherical particle will be given below. 3. CALCULATION oF J(x) BY APPROXIMATION Mrnops Instead of attempting the evaluation of the integral (2a) between the spheres |H| and (k-+42)|H|, v. Laue approximates it by an integral taken over the region between the tan- 979 sgent planes to these spheres at the points k| H]G and (&-+A8)|H|G, in which G is a unit vector in the direction of the vector Ehibs ie., G=(Lhib)/|Xhibi| (8) Following v. Laue,* Eq. (32), we may then write? Ja)= f vce |rRaR, ° in which. the assumption of cubic symmetry and the conditions (3) are no longer required. Instead we must, however, write Rea DMeOah,— A) = LUE 7= QBN EL(G)/ALT. (aa) (10b) and We note that in the special case of cubic sym- ‘metry and under the conditions (3) the quantity 3/n takes the form 5/7=4=2Maks. W. L. Bragg? was led to make a further simplification of the discussion by considering only the intensity of the x-rays reflected while the vector His in the same direction as the vector G. With this assumption we have simply Tox) =|¥C5/a) |*. ay Although this approach is confessedly approxi- ‘mate, it has the advantage of being applicable to all possible forms of the function W(U). Since the interference function |¥(U)|?is not in general a function of R alone, v. Laue? (Eqs. (26) and (27)) made use of approximation fune- tions for the interference function in (9). These functions were of the type Sl) = Crexp (—oFR), f(A) = Color +1), (12a) (1b) In discussion with the author some years ago v. Laue has also suggested a third approximation funetion: (49 Cil-esR); R¥

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