Structural and vibrational stability of M and Z phases of silicon and germanium from first principles

Metastable C-centered orthorhombic Si8and Ge8

(2012) Jinhui Zhai et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Tetragonal Allotrope of Group 14 Elements

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

Strength, hardness, and lattice vibrations ofZ-carbon andW-carbon: First-principles calculations

(2012) Zhiping Li et al.   PHYSICAL REVIEW B

Prediction of a metastable phase of silicon in theIbamstructure

(2012) Brad D. Malone et al.   PHYSICAL REVIEW B

Electronic structure, equation of state, and lattice dynamics of low-pressure Ge polymorphs

(2012) Brad D. Malone et al.   PHYSICAL REVIEW B

Crystal Structure of Cold Compressed Graphite

(2012) Maximilian Amsler et al.   PHYSICAL REVIEW LETTERS

Strength and bonding nature of superhard Z-carbon from first-principle study

(2012) Jiaqian Qin et al.   AIP Advances

Germanium Nanotubes Prepared by Using the Kirkendall Effect as Anodes for High-Rate Lithium Batteries

(2011) Mi-Hee Park et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Bulk Synthesis and Structure of a Microcrystalline Allotrope of Germanium (m-allo-Ge)

(2011) Florian Kiefer et al.   CHEMISTRY OF MATERIALS

Density functional predictions of new silicon allotropes: Electronic properties and potential applications to Li-battery anode materials

(2011) Fang Wu et al.   SOLID STATE COMMUNICATIONS

Electronic and optical properties of body-centered-tetragonal Si and Ge

(2010) Brad D. Malone et al.   PHYSICAL REVIEW B

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Maximally localized Wannier functions for GW quasiparticles

(2009) D. R. Hamann et al.   PHYSICAL REVIEW B

Superhard Monoclinic Polymorph of Carbon

(2009) Quan Li et al.   PHYSICAL REVIEW LETTERS

A new crystalline phase of four-fold coordinated silicon and germanium

(2008) Yoshitaka Fujimoto et al.   NEW JOURNAL OF PHYSICS

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

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

AccurateGWself-energies in a plane-wave basis using only a few empty states: Towards large systems

(2008) Fabien Bruneval et al.   PHYSICAL REVIEW B

Ab initiostudy of the optical properties of Si-XII

(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