TY - JOUR
T1 - Relationship between bond stiffness and electrical energy storage capacity in oxides
T2 - Density functional calculations for h-La2O3, MgO, and BeO
AU - Xu, Bo
AU - Cooper, Valentino R.
AU - Singh, David J.
AU - Feng, Yuan Ping
PY - 2011/2/11
Y1 - 2011/2/11
N2 - We report finite electric field calculations for three representative oxide dielectrics: MgO, La2O3, and BeO. These materials have very different dielectric constants and bond stiffness. Good accord with experimental low field data is obtained. We discuss the results from the point of view of dielectric energy storage and suggest that the low dielectric constant, high bond stiffness material BeO is best from the viewpoint of energy density.
AB - We report finite electric field calculations for three representative oxide dielectrics: MgO, La2O3, and BeO. These materials have very different dielectric constants and bond stiffness. Good accord with experimental low field data is obtained. We discuss the results from the point of view of dielectric energy storage and suggest that the low dielectric constant, high bond stiffness material BeO is best from the viewpoint of energy density.
UR - http://www.scopus.com/inward/record.url?scp=79961062503&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.83.064115
DO - 10.1103/PhysRevB.83.064115
M3 - Article
AN - SCOPUS:79961062503
SN - 1098-0121
VL - 83
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 6
M1 - 064115
ER -