title: La/Sm/Er Cation Doping Induced Thermal Properties of SrTiO3 Perovskite.
abstract: The La/Sm/Er cations with different radii doping SrTiO3 (STO) as model Sr0.9R0.1TiO3 (R = La, Sm, Er) were designed to investigate structural characteristics and thermal properties by the molecular dynamics simulation with the Green-Kubo relation at 300-2000 K. The structural characteristics were composed of lattice constant, atoms excursion, and pair correlation function (PCF). The thermal properties consisted of heat capacity and thermal conductivity. The lattice constant of R-doped exhibited less than the STO at 300-1100 K and more than STO at 1500-2000 K, which was encouraged by atom excursion and PCF. The thermal properties was compared with literature data at 300-1100 K. In addition, the thermal properties at 1100-2000 K were predicted. It highlights that thermal conductivity tends to decrease at high temperature, due to perturbation of La, Sm, and Er, respectively.
authors: Program of Physics, Faculty of Science and Technology, Sakon Nakhon Rajabhat University , 680 Nittayo, Mueang District, Sakon Nakhon, 74000, Thailand.|Simulation Research Laboratory, Center of Excellence on Alternative Energy, Research Development Institute, Sakon Nakhon Rajabhat University , 680 Nittayo, Mueang District, Sakon Nakhon, 74000, Thailand.
authors: Meena
authors: M
authors: Rittiruam
authors: Program of Physics, Faculty of Science and Technology, Sakon Nakhon Rajabhat University , 680 Nittayo, Mueang District, Sakon Nakhon, 74000, Thailand.|Simulation Research Laboratory, Center of Excellence on Alternative Energy, Research Development Institute, Sakon Nakhon Rajabhat University , 680 Nittayo, Mueang District, Sakon Nakhon, 74000, Thailand.
authors: Tosawat
authors: T
authors: Seetawan
authors: Program of Physics, Faculty of Science and Technology, Sakon Nakhon Rajabhat University , 680 Nittayo, Mueang District, Sakon Nakhon, 74000, Thailand.|Simulation Research Laboratory, Center of Excellence on Alternative Energy, Research Development Institute, Sakon Nakhon Rajabhat University , 680 Nittayo, Mueang District, Sakon Nakhon, 74000, Thailand.
authors: Sirakan
authors: S
authors: Yokhasing
authors: Simulation Research Laboratory, Center of Excellence on Alternative Energy, Research Development Institute, Sakon Nakhon Rajabhat University , 680 Nittayo, Mueang District, Sakon Nakhon, 74000, Thailand.|Program of Computer, Faculty of Science and Technology, Sakon Nakhon Rajabhat University , 680 Nittayo, Mueang District, Sakon Nakhon, 74000, Thailand.
authors: Korakot
authors: K
authors: Matarat
authors: Faculty of Materials Science, University of Science, Vietnam National University , 227 Nguyen Van Cu, Ward 4, District 5, Ho Chi Minh City, Vietnam.|Laboratory of Advanced Materials , University of Science, Vietnam National University , 227 Nguyen Van Cu, Ward 4, District 5, Ho Chi Minh City, Vietnam.
authors: Phan
authors: P
authors: Bach Thang
authors: Center for Advanced Plasma Surface Technology, NU-SKKU Joint Institute for Plasma Nano-Materials, Advanced Materials Science and Engineering Sungkyunkwan University , Suwon 440746, Korea.
authors: Manish
authors: M
authors: Kumar
authors: Center for Advanced Plasma Surface Technology, NU-SKKU Joint Institute for Plasma Nano-Materials, Advanced Materials Science and Engineering Sungkyunkwan University , Suwon 440746, Korea.
authors: Jeon Geon
authors: JG
authors: Han