Group 14 elements in the Cmcm phase with a direct band structure for photoelectric application

All sp2 hybridization BN polymorphs with wide bandgap

(2022) Qingyang Fan et al.   JOURNAL OF APPLIED PHYSICS

Two novel carbon allotropes with tetragonal symmetry: First-principles calculations

(2022) Mengjiang Xing et al.   JOURNAL OF SOLID STATE CHEMISTRY

Si–C alloys with direct band gaps for photoelectric application

(2022) Qingyang Fan et al.   VACUUM

A New BCN Compound with Monoclinic Symmetry: First-Principle Calculations

(2022) Zhenyang Ma et al.   Materials

o-C12: A novel orthorhombic metallic superhard carbon phase

(2021) Yalan Zhou et al.   SOLID STATE SCIENCES

Group 14 semiconductor alloys in the P41212 phase: A comprehensive study

(2021) Qingyang Fan et al.   Results in Physics

Direct and quasi-direct band gap of novel Si-Ge alloys in P-3m1 phase

(2021) Qingyang Fan et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A Review on Metastable Silicon Allotropes

(2021) Linlin Fan et al.   Materials

A porous nanotube network structure of metallic carbon

(2021) Mengjiang Xing et al.   Results in Physics

Designing sp3 networks of two novel carbon allotropes in the P4/mmm phase

(2021) Mengjiang Xing et al.   CHINESE JOURNAL OF PHYSICS

Novel BCN2 and CN compounds in C2/m phase: First-principle calculations

(2021) Yonghong Liu et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Physical properties of group 14 elements in P2/m phase

(2021) Qingyang Fan et al.   JOURNAL OF SOLID STATE CHEMISTRY

C2-Si: A novel silicon allotrope in monoclinic phase

(2021) Qing-yang Fan et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Single-crystal synthesis and properties of the open-framework allotrope Si24

(2020) Michael Guerette et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Optical, Electronic Properties and Anisotropy in Mechanical Properties of “X” Type Carbon Allotropes

(2020) Jiao Cheng et al.   Materials

A prediction of a new porous metallic carbon allotrope with an sp2 hybridized network: cP-C24

(2020) Ziao Wang et al.   SOLID STATE SCIENCES

Stability, mechanical, anisotropic and electronic properties of oP8 carbon: A superhard carbon allotrope in orthorhombic phase

(2020) Qingyang Fan et al.   JOURNAL OF SOLID STATE CHEMISTRY

Superhard conductive orthorhombic carbon polymorphs

(2019) Lingyu Liu et al.   CARBON

Prediction of a novel carbon allotrope from first-principle calculations: A potential superhard material in monoclinic symmetry

(2019) Xiaozhen Li et al.   MATERIALS CHEMISTRY AND PHYSICS

Bco-C24: A new 3D Dirac nodal line semi-metallic carbon honeycomb for high performance metal-ion battery anodes

(2019) Shuaiwei Wang et al.   CARBON

Strain effect on phonon transport in open framework Si24: A first-principles study

(2019) Pei Zhang et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Orthorhombic carbon oC24: A novel topological nodal line semimetal

(2018) Zhen-Zhen Li et al.   CARBON

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

Enhanced Thermoelectric Properties in a New Silicon Crystal Si24 with Intrinsic Nanoscale Porous Structure

(2018) Kisung Chae et al.   NANO LETTERS

Fvs-Si48: A Direct Band Gap Silicon Allotrope

(2018) Menglei Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initio study of new sp3 silicon and germanium allotropes predicted from the zeolite topologies

(2017) Vladimir A. Saleev et al.   EUROPEAN PHYSICAL JOURNAL B

Theoretical investigations of group IV alloys in the Lonsdaleite phase

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

Si24: An Efficient Solar Cell Material

(2017) Jiajun Linghu et al.   Journal of Physical Chemistry C

Novel Superhard sp3 Carbon Allotrope from Cold-Compressed C70 Peapods

(2017) Xigui Yang et al.   PHYSICAL REVIEW LETTERS

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

(2017) Qingyang Fan et al.   MATERIALS & DESIGN

Homo Citansand Carbon Allotropes: For an Ethics of Citation

(2016) Roald Hoffmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Novel three dimensional topological nodal line semimetallic carbon

(2016) Yong Cheng et al.   CARBON

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

Direct and quasi-direct band gap silicon allotropes with remarkable stability

(2016) Chaoyu He et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pathways to exotic metastable silicon allotropes

(2016) Bianca Haberl et al.   Applied Physics Reviews

Clathrates and beyond: Low-density allotropy in crystalline silicon

(2016) Matt Beekman et al.   Applied Physics Reviews

New hopes for allotropes

(2015) Matt Beekman   Materials Today

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

(2015) Yaguang Guo et al.   Scientific Reports

Direct Band Gap Silicon Allotropes

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

Synthesis of an open-framework allotrope of silicon

(2014) Duck Young Kim et al.   NATURE MATERIALS

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

Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines

(2013) Weile Jia et al.   JOURNAL OF COMPUTATIONAL PHYSICS

The analysis of a plane wave pseudopotential density functional theory code on a GPU machine

(2012) Weile Jia et al.   COMPUTER PHYSICS COMMUNICATIONS

Polymorphic Phases of sp3-Hybridized Carbon under Cold Compression

(2012) Rulong Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

ElAM: A computer program for the analysis and representation of anisotropic elastic properties

(2010) Arnaud Marmier et al.   COMPUTER PHYSICS COMMUNICATIONS

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