Density functional theory capture of electronic structures and optical properties of vacancy doped 3C-SiC systems

Ab-initio study of indium, nitrogen codoping effect on the structure and properties of TiO2

(2019) Matiullah Khan et al.   Materials Research Express

Electronic structures and optical properties of Ni-doped 4H-SiC: dispersion-corrected density functional theory investigations

(2019) Xuefeng Lu et al.   Materials Research Express

Effects of diverse metal adsorptions on the electronic and optical properties of the β-Si 3 N 4 (2 0 0) surface: A first-principles study

(2018) Xuefeng Lu et al.   COMPUTATIONAL MATERIALS SCIENCE

Balanced design for the feasible super rocket fuels: A first-principle study on gauche CHN 7 and CHN 3

(2018) Tao Yu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Electronic Band Structure Variations in the Ceria Doped Zirconia: A First Principles Study

(2018) Sahar Ramin Gul et al.   Materials

Investigation of electronic structures and optical properties of β-Si3N4 doped with IV A elements: A first-principles simulation

(2018) Xuefeng Lu et al.   AIP Advances

Ab initio study of the stability of intrinsic and extrinsic Ag point defects in 3C SiC

(2018) Nanjun Chen et al.   JOURNAL OF NUCLEAR MATERIALS

Electronic structures and optical properties of IV A elements-doped 3C-SiC from density functional calculations

(2018) Xuefeng Lu et al.   MODERN PHYSICS LETTERS B

Electronic Structure and Magnetic Properties of V-Monodoped and (V, Al)-Codoped 4H-SiC

(2017) Long Lin et al.   Journal of Superconductivity and Novel Magnetism

Temperature Dependence of Electrical Resistivity (4-300 K) in Aluminum- and Boron-Doped SiC Ceramics

(2013) Kwang Joo Kim et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

First Principle Study of the Electronic Properties of 3C-SiC Doped with Different Amounts of Ni

(2012) Yan-Kun Dou et al.   CHINESE PHYSICS LETTERS

Semiconductor-metal transition in semiconducting bilayer sheets of transition-metal dichalcogenides

(2012) Swastibrata Bhattacharyya et al.   PHYSICAL REVIEW B

Structural stability, electronic and optical properties of Ni-doped 3C–SiC by first principles calculation

(2011) Yankun Dou et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First-principle studies of the electronic structure and reflectivity of LaTiO3 and Sr doped LaTiO3 (La1-xSrxTiO3)

(2011) Li Hong Gao et al.   JOURNAL OF ELECTROCERAMICS

Preparation and Dielectric Property of Al and N Co-Doped SiC Powder by Combustion Synthesis

(2011) Xiaolei Su et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Tunable band gaps in bilayer transition-metal dichalcogenides

(2011) Ashwin Ramasubramaniam et al.   PHYSICAL REVIEW B

Origin of superconductivity in boron-doped silicon carbide from first principles

(2009) Jesse Noffsinger et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS