TY - JOUR
AU - Sofo, J. O
AB - We present a method of modeling transport coefficients from first-principles calculations. We introduce the transport distribution that contains all electronic information and from which transport coefficients can easily be calculated. We use this method to analyze Bi 2 Te 3 and calculate its transport coefficients for a comparison with experiment. The transport distribution gives an improved insight into the relationship between transport properties and electronic structure and is a valuable tool in the search for improved thermoelectric materials.
TI - Transport coefficients from first-principles calculations
JF - Physical Review B
DO - 10.1103/PhysRevB.68.125210
DA - 2003-09-15
UR - https://www.deepdyve.com/lp/american-physical-society-aps/transport-coefficients-from-first-principles-calculations-TYgXJTPfUa
VL - 68
IS - 12
DP - DeepDyve
ER -