Work

Teaching Reciprocal Space to Undergraduates via Theory and Code Components of an IPython Notebook

Year: 2016

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide In this technology report, a tool is provided for teaching reciprocal space to undergraduates in physical chemistry and materials science courses. Reciprocal space plays a vital role in understanding a material’s electronic structure and physical properties. Here, we provide an example based on previous work in the Journal of Chemical Education literature, carry out a calculation of reciprocal space vectors by hand, and present a computational tool for applying this mathematical process to other systems. Along with this paper, we have provided the stand-alone Python program that converts real space vectors to reciprocal space vectors and have also provided an IPython notebook that combines theory with components of the full Python code so that instructors can use this tool in their physical chemistry or materials science lectures.

Source: Journal of Chemical Education

DOI: 10.1021/acs.jchemed.6b00392

Authors: Matthew N. Srnec, Shiv Upadhyay, Jeffry D. Madura

Institutions: Franciscan University of Steubenville, Duquesne University

Language: English

Topic: Various Chemistry Research Topics

Subfield: Education

Field: Social Sciences

Domain: Social Sciences

SDG: Quality education

Open Access status: bronze

Funder: National Science Foundation