Introduction

Saravanan, R.; Rani, M. Prema

doi:10.1007/978-1-4471-2204-3_1

Cited by 1 publication

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“…The detailed knowledge about the electronic structure, like the electron density distribution of the thermoelectric materials is of much importantce, because the major parameter controlling the thermoelectric property is the electron density and the way in which it is distributed in the material. The electron density distribution and its changes under different doping can be clearly visualized with the help of X-ray crystallographic techniques [2,3]. The maximum entropy method (MEM) is one of the best methods of studying the electron density distribution, as this method is proved to be unbiased and accurate without series termination effects in comparison with the conventional Fourier synthesis [4][5][6][7][8].…”

Section: Introductionmentioning

confidence: 99%

Single crystal X-ray analysis of the electronic structure of the thermoelectric material Sn1−x Ge x Te

Robert¹,

Ramachandran²

2010

Indian J Phys

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The precise bonding and the electronic structure of the thermoelectric material Sn 1-x Ge x Te with two different doping levels viz., x = 0.12 and x = 0.25 have been determined using single crystal X-ray data and maximum entropy method (MEM). The thermal vibration parameters of the individual atoms in these two systems have also been studied and reported. The electron densities at the middle of the bond along [1 0 0] direction are found to be 0.346 e/Å 3 and 0.359 e/Å 3 for x = 0.12 and 0.25, respectively, showing different strengths of the bonding.

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