A Novel BN Polymorph in P 4/ mbm Phase with a (4,4) Nanotube

Two orthorhombic superhard carbon allotropes: C16 and C24

(2021) Qingyang Fan et al.   DIAMOND AND RELATED MATERIALS

An orthorhombic superhard carbon allotrope: Pmma C24

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

Physical properties of group 14 elements in P2/m phase

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

P63/mmc-Ge and their Si-Ge alloys with a mouldable direct band gap

(2020) Qingyang Fan et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Electro-Optical Properties of Monolayer and Bilayer Pentagonal BN: First Principles Study

(2020) Mehran Amiri et al.   Nanomaterials

Physical properties of a novel phase of boron nitride and its potential applications

(2020) Zhenyang Ma et al.   MATERIALS CHEMISTRY AND PHYSICS

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

(2020) Jiao Cheng et al.   Materials

Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations

(2020) Qidong Zhang et al.   Materials

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

TPDH-graphene: A new two dimensional metallic carbon with NDR behaviour of its one dimensional derivatives

(2020) Debaprem Bhattacharya et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Physical properties of B4N4-I and B4N4-II: First-principles study

(2019) Zhenyang Ma et al.   Chinese Physics B

Elastic properties of diamond-like phases based on carbon nanotubes

(2019) Leysan Kh. Rysaeva et al.   DIAMOND AND RELATED MATERIALS

Physical properties of Ima2-BN under pressure: First principles calculations

(2019) Zhenyang Ma et al.   CHINESE JOURNAL OF PHYSICS

C568: A new two-dimensional sp2-sp3 hybridized allotrope of carbon

(2019) Babu Ram et al.   CARBON

Electronic, elastic and piezoelectric properties of boron-V group binary and ternary monolayers

(2019) Jing Shi et al.   PHYSICA B-CONDENSED MATTER

Structural, electronic, elastic and vibrational properties of two dimensional graphene-like BN under high pressure

(2019) Cihan Kürkçü et al.   SOLID STATE COMMUNICATIONS

Hard three-dimensional BN framework with one-dimensional metallicity

(2018) Mei Xiong et al.   JOURNAL OF ALLOYS AND COMPOUNDS

t -Si64 : A Novel Silicon Allotrope

(2018) Qingyang Fan et al.   CHEMPHYSCHEM

Complex Low Energy Tetrahedral Polymorphs of Group IV Elements from First Principles

(2018) Chaoyu He et al.   PHYSICAL REVIEW LETTERS

Density-functional-studying of oP8–, tI16–, and tP4–B2CO physical properties under pressure

(2018) Liping Qiao et al.   JOURNAL OF SOLID STATE CHEMISTRY

Pressure-induced boron nitride nanotube derivatives: 3D metastable allotropes

(2017) Mei Xiong et al.   JOURNAL OF APPLIED PHYSICS

Theoretical investigations of group IV alloys in the Lonsdaleite phase

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

Homo Citansand Carbon Allotropes: For an Ethics of Citation

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

First-principles study of the crystal structures and physical properties of H18-BN and Rh6-BN

(2016) Xiao-Yan Ren et al.   PHYSICS LETTERS A

Si96: A New Silicon Allotrope with Interesting Physical Properties

(2016) Qingyang Fan et al.   Materials

Pnma-BN: Another Boron Nitride Polymorph with Interesting Physical Properties

(2016) Zhenyang Ma et al.   Nanomaterials

Elastic and electronic properties of Imm2- and I4¯m2-BCN

(2015) Qingyang Fan et al.   COMPUTATIONAL MATERIALS SCIENCE

C2/m-carbon: structural, mechanical, and electronic properties

(2015) Mengjiang Xing et al.   JOURNAL OF MATERIALS SCIENCE

Structural, mechanical, and electronic properties of P3m1-BCN

(2015) Qingyang Fan et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

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

(2014) Qingyang Fan et al.   COMPUTATIONAL MATERIALS SCIENCE

Porous Boron Nitride with Tunable Pore Size

(2014) Jun Dai et al.   Journal of Physical Chemistry Letters

Ab initio investigation of a new boron nitride allotrope

(2014) A. A. Kuzubov et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Novel three-dimensional boron nitride allotropes from compressed nanotube bundles

(2014) Mei Xiong et al.   Journal of Materials Chemistry C

First-principles study of structural and electronic properties of C14-type Laves phase Al2Zr and Al2Hf

(2013) Wen-Cheng Hu et al.   COMPUTATIONAL MATERIALS SCIENCE

The first-principles study on physical properties and phase stability of Boron-V (BN, BP, BAs, BSb and BBi) compounds

(2013) M. Ustundag et al.   COMPUTATIONAL MATERIALS SCIENCE

New boron nitride structures B4N4: a first-principles random searching application

(2013) Éric Germaneau et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

First-principles study of structural, elastic, electronic, lattice dynamic and optical properties ofXN (X=Ga, Al and B) compounds under pressure

(2011) M Fatmi et al.   PHYSICA SCRIPTA

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

(2010) Arnaud Marmier et al.   COMPUTER PHYSICS COMMUNICATIONS

Hardness of covalent compounds: Roles of metallic component and d valence electrons

(2008) Xiaoju Guo et al.   JOURNAL OF APPLIED PHYSICS

Hypothetical three-dimensional all-sp2carbon phase

(2008) G.-M. Rignanese et al.   PHYSICAL REVIEW B

Structure prediction based onab initiosimulated annealing for boron nitride

(2008) K. Doll et al.   PHYSICAL REVIEW B