Preprint Article Version 2 This version is not peer-reviewed

Crystal Period Vectors under External Stress in Statistical Physics

Version 1 : Received: 3 April 2019 / Approved: 8 April 2019 / Online: 8 April 2019 (08:48:22 CEST)
Version 2 : Received: 23 April 2019 / Approved: 23 April 2019 / Online: 23 April 2019 (12:18:56 CEST)
Version 3 : Received: 16 November 2019 / Approved: 18 November 2019 / Online: 18 November 2019 (04:39:26 CET)

How to cite: Liu, G. Crystal Period Vectors under External Stress in Statistical Physics. Preprints 2019, 2019040076 (doi: 10.20944/preprints201904.0076.v2). Liu, G. Crystal Period Vectors under External Stress in Statistical Physics. Preprints 2019, 2019040076 (doi: 10.20944/preprints201904.0076.v2).

Abstract

A basic and general equation to determine period vectors (cell edge vectors) is necessary in physics, especially when crystals are under external stress. It has been derived in Newtonian dynamics. Since statistical physics should also generate such equation, we will provide a derivation. By extending the normal derivation for crystals under external pressure, regarding crystal cells as being filled with continuous media, formulating the work done by the external stress on the crystal explicitly, and deriving the forces on the surfaces of the cells by the external stress, we arrived at the equation for the period vectors, which is in principle the same as the above mentioned counterpart achieved in Newtonian dynamics. Everything also restores when the external stress reduces to the special case of external pressure. It should be applicable when crystals are under different pressures in different directions, like in piezoelectric and piezomagnetic phenomena.

Subject Areas

period vectors; external stress; crystal struture prediction; statistical physics

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