Crystal Period Vectors under External Stress in Statistical Physics

For crystal periodic structure prediction, a new and concise approach based on the principles of statistical physics was employed to derive a new form of the equation to determine their period vectors (cell edge vectors), under general external stress. Then the new form is applicable to both classical physics and quantum physics. It also turned out to be the equation of state and the specific explicit equilibrium condition for crystals under external stress and temperature. It should be helpful in piezoelectric and piezomagnetic studies, as the period vectors were changed by the external stress. For linear elastic crystals, it is actually also the microscopic but temperature-dependent form of the generalized Hooke's law, then can be used to calculate the corresponding elastic constants of the law, for given temperatures.