TY - JOUR
T1 - All- 3d Electron-Hole Bilayers in CrN/MgO (111) Multilayers for Thermoelectric Applications
AU - Botana, Antia S.
AU - Pardo, Victor
AU - Pickett, Warren E.
N1 - Funding Information:
V.P. thanks MINECO for Project No. MAT2013-44673-R, the Xunta de Galicia through Project No. EM2013/037, and the Spanish Government for financial support through the Ramon y Cajal Program (Project No. RyC-2011-09024). W.E.P. acknowledges many conversations with R. Pentcheva on the theory and phenomenology of oxide interfaces and multilayers. A.S.B. and W.E.P were supported by U.S. Department of Energy Grant No. DE-FG02-04ER46111. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
Publisher Copyright:
© 2017 American Physical Society.
PY - 2017/2/6
Y1 - 2017/2/6
N2 - CrN/MgO(111) multilayers modeled via ab initio calculations give rise to nanoscale, scalable, spatially separated two-dimensional electron and hole gases, each confined to its own CrN interface. Because of the Cr 3d3 configuration, both electron and hole gases are based on correlated transition-metal layers involving bands of 3d character. Transport calculations predict each subsystem will have a large thermopower, on the order of 250 μV/K at room temperature. These heterostructures combine a large thermoelectric efficiency with scalable nanoscale conducting sheets; for example, operating at a temperature difference of 50 K, 40 bilayers could produce a 1-V voltage with a film thickness of 100 nm.
AB - CrN/MgO(111) multilayers modeled via ab initio calculations give rise to nanoscale, scalable, spatially separated two-dimensional electron and hole gases, each confined to its own CrN interface. Because of the Cr 3d3 configuration, both electron and hole gases are based on correlated transition-metal layers involving bands of 3d character. Transport calculations predict each subsystem will have a large thermopower, on the order of 250 μV/K at room temperature. These heterostructures combine a large thermoelectric efficiency with scalable nanoscale conducting sheets; for example, operating at a temperature difference of 50 K, 40 bilayers could produce a 1-V voltage with a film thickness of 100 nm.
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U2 - 10.1103/PhysRevApplied.7.024002
DO - 10.1103/PhysRevApplied.7.024002
M3 - Article
AN - SCOPUS:85014612994
SN - 2331-7019
VL - 7
JO - Physical Review Applied
JF - Physical Review Applied
IS - 2
M1 - 024002
ER -