A theory, based on the method of moments, is described which predicts exact lineshapes for the optical absorption of bound small polarons. This theory explains the position, large width, and high oscillator strength of the optical absorption of the Vxl centre in MgO and the polarisation of V-in MgO, which has been observed under uniaxial stress.Eine Theorie, beruhend auf der Methode der Momente, wird beschrieben, die exakt die Linienform der optischen Absorption gebundener kleiner Polaronen herleitet. Diese Theorie erklart die Lage, grode Breite und hohe Oszillatorenstarke der optischen Absorption von Vgl Zentren in MgO und die Polarisation von V-in MgO, welche unter einachsigem Druck beobachtet wurden.
Theory V-type centres in alkaline earth oxides (a hole trapped a t one of the 02-ions neighboring various negative defects [l])show broad absorption bands [ 2 to 51 in the visible, the origin of which has so far not been understood [ 3 ] . With V-[6] andVi1 [7] in MgO as examples (negative charge represented by a vacancy, isolated or associated with A13+, respectively), we will show that these bands can be explained if the distortion of the centres is taken into account.Even in V-, where the six 02-ions surrounding the vacancy are equivalent, the hole is localised at one ion a t low teperatures and the centre shows tetragonal symmetry. This can be attributed to a distortion of the centre by a coupling of the hole to a TI, phonon (coordinates Q,, Qy, Qz), competing with the tunneling of the hole. This exchange ( J > 0) between neighbouring 02-pz functions (Fig. l a ) respectively. If hole-T1,-phonon interaction is introduced in a manner analogous to that described by Ham [9, 101, it can be shown that to each af the six 02-p, functions there belongs a spherically symmetric oscillator, displaced in Q-space (Fig. lb), with the potential energies (in the limit J +-0)for the wells centred on the &,-axis and similarly for the four equivalent ones.EJT is an abbreviation for V2/(2pmE), where hm,, is the oscillator energy and V , the reduced matrix elementl) describing the strength of hole-phonon coupling.