Phase transition and properties of ternary MgGeN2 under pressure: a first principles investigation

Novel phase transition for XSnN2 (X = Mg, Zn) under uniaxial compression

(2022) Kai Chen et al.   Materials Today Communications

The pressure effect on the structural, elastic, and mechanical properties of orthorhombic MgSiN2 from first-principles calculations

(2021) Atipong Bootchanont et al.   SOLID STATE COMMUNICATIONS

Pressure-Induced Martensitic Phase Transition and Low Lattice Thermal Conductivity of SrClF

(2021) Lavanya Kunduru et al.   Journal of Physical Chemistry C

Behavior of intrinsic defects in BaF2 under uniaxial compressions: An ab initio investigation

(2021) Jingjing Dai et al.   Materials Today Communications

New High Pressure Phases of the Zn–N System

(2020) Xuhan Shi et al.   Journal of Physical Chemistry C

Stress‐Driven Phase Transitions of SrI 2 : A First‐Principles Investigation

(2020) Jingjing Dai et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

First principles investigation of electron correlation and Lifshitz transition within iron polynitrides

(2020) Qingguo Feng   JOURNAL OF PHYSICS-CONDENSED MATTER

Unraveling the Hidden Martensitic Phase Transition in BaClF and PbClF under High Pressure Using an Ab Initio Evolutionary Approach

(2019) N. Yedukondalu et al.   INORGANIC CHEMISTRY

Tunable electronic properties of monolayer MnPSe3/MoTe2 heterostructure: a first principles study

(2019) Limei Fang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Quasiparticle self-consistent GW band structures of Mg-IV-N2 compounds: The role of semicore d states

(2019) Sai Lyu et al.   SOLID STATE COMMUNICATIONS

Synthesis of magnesium-nitrogen salts of polynitrogen anions

(2019) Dominique Laniel et al.   Nature Communications

BoltzTraP2 , a program for interpolating band structures and calculating semi-classical transport coefficients

(2018) Georg K.H. Madsen et al.   COMPUTER PHYSICS COMMUNICATIONS

Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains

(2018) M. Bykov et al.   Nature Communications

Novel triadius-like N4 specie of iron nitride compounds under high pressure

(2018) Yuanzheng Chen et al.   Scientific Reports

Structure and lattice dynamics of the wide band gap semiconductors MgSiN2 and MgGeN2

(2017) M. Råsander et al.   JOURNAL OF APPLIED PHYSICS

Topological transitions of the Fermi surface of osmium under pressure: an LDA+DMFT study

(2017) Qingguo Feng et al.   NEW JOURNAL OF PHYSICS

Synthesis, structure, and optoelectronic properties of II–IV–V2 materials

(2017) Aaron D. Martinez et al.   Journal of Materials Chemistry A

Materials discovery at high pressures

(2017) Lijun Zhang et al.   Nature Reviews Materials

Energetic evaluation of hydrogen storage in metal hydrides

(2016) Patrick Adametz et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

(2016) Jianwei Sun et al.   Nature Chemistry

Electronic structure of the high and low pressure polymorphs of MgSiN2

(2016) M Råsander et al.   Materials Research Express

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

Electronic, optical and bonding properties of MgYZ2 (Y=Si, Ge; Z=N, P) chalcopyrites from first principles

(2014) Sibghat-ullah et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Energy band genesis from sublattice states in MgSiN2 and MgGeN2 crystals

(2011) Yu. M. Basalaev et al.   JOURNAL OF STRUCTURAL CHEMISTRY

High-pressure high-temperature synthesis and structure of β-MgSiN2

(2011) Miria Andrade et al.   Physica Status Solidi-Rapid Research Letters

Searching for ways to create energetic materials based on polynitrogen compounds (review)

(2010) V. E. Zarko   COMBUSTION EXPLOSION AND SHOCK WAVES

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Structural, electronic and optical properties of II–IV–N2 compounds (II = Be, Zn; IV = Si, Ge)

(2007) V. L. Shaposhnikov et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS