t -Si64 : A Novel Silicon Allotrope

Theoretical investigations of Ge1−xSnx alloys (x = 0, 0.333, 0.667, 1) in P42/ncm phase

(2018) Wei Zhang et al.   JOURNAL OF MATERIALS SCIENCE

Theoretical investigations of group IV alloys in the Lonsdaleite phase

(2017) Qingyang Fan et al.   JOURNAL OF MATERIALS SCIENCE

Two novel Ge phases and their Si Ge alloys with excellent electronic and optical properties

(2017) Qingyang Fan et al.   MATERIALS & DESIGN

Ab initio materials design using conformational space annealing and its application to searching for direct band gap silicon crystals

(2016) In-Ho Lee et al.   COMPUTER PHYSICS COMMUNICATIONS

A new superhard carbon allotrope: tetragonal C64

(2016) Qun Wei et al.   JOURNAL OF MATERIALS SCIENCE

Prediction of novel phase of silicon and Si–Ge alloys

(2016) Qingyang Fan et al.   JOURNAL OF SOLID STATE CHEMISTRY

Mechanical and electronic properties of Si, Ge and their alloys in P42/mnm structure

(2016) Qingyang Fan et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Two novel silicon phases with direct band gaps

(2016) Qingyang Fan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Si96: A New Silicon Allotrope with Interesting Physical Properties

(2016) Qingyang Fan et al.   Materials

Structural, electronic, and optical properties of ordered Si1−xGexC alloys: A first principles study

(2015) Jinhui Zhai et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Novel silicon allotropes: Stability, mechanical, and electronic properties

(2015) Qingyang Fan et al.   JOURNAL OF APPLIED PHYSICS

Lattice dynamics and thermoelectric properties of nanocrystalline silicon-germanium alloys

(2015) Tania Claudio et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties

(2015) Yaguang Guo et al.   Scientific Reports

Elastic and electronic properties of Pbca-BN: First-principles calculations

(2014) Qingyang Fan et al.   COMPUTATIONAL MATERIALS SCIENCE

Anisotropic elastic properties of the Ca–Pb compounds

(2014) Y.H. Duan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Electronic structure and optical properties of Si, Ge and diamond in the lonsdaleite phase

(2014) Amrit De et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Direct Band Gap Silicon Allotropes

(2014) Qianqian Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational search for direct band gap silicon crystals

(2014) In-Ho Lee et al.   PHYSICAL REVIEW B

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach

(2013) H. J. Xiang et al.   PHYSICAL REVIEW LETTERS

Na-Si Clathrates Are High-Pressure Phases: A Melt-Based Route to Control Stoichiometry and Properties

(2012) Oleksandr O. Kurakevych et al.   CRYSTAL GROWTH & DESIGN

Tetragonal Allotrope of Group 14 Elements

(2012) Zhisheng Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Silicon clathrates and carbon analogs: high pressure synthesis, structure, and superconductivity

(2009) Shoji Yamanaka   DALTON TRANSACTIONS

Ab initiosurvey of the electronic structure of tetrahedrally bonded phases of silicon

(2008) Brad D. Malone et al.   PHYSICAL REVIEW B

Influence of the Core-Valence Interaction and of the Pseudopotential Approximation on the Electron Self-Energy in Semiconductors

(2008) Ricardo Gómez-Abal et al.   PHYSICAL REVIEW LETTERS