Crystal Structures and Mechanical Properties of Ca2C at High Pressure
Recently, a new high-pressure semiconductor phase of Ca2C (space group Pnma) was successfully synthesized, it has a low-pressure metallic phase (space group C2/m). In this paper, a systematic investigation of the pressure-induced phase transition of Ca2C is studied on the basis of first-principles c...
Main Authors: | Qun Wei, Quan Zhang, Meiguang Zhang |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2016-07-01
|
Series: | Materials |
Subjects: | |
Online Access: | http://www.mdpi.com/1996-1944/9/7/570 |
Similar Items
-
First-Principles Study of High-Pressure Phase Stability and Electron Properties of Be-P Compounds
by: Han Liu, et al.
Published: (2022-02-01) -
Mechanical and electronic properties of new stable transition metal carbonitrides
by: Jing Luo, et al.
Published: (2023-09-01) -
Crystal Structures and Electronic Properties of BaAu Compound under High Pressure
by: Bingtan Li, et al.
Published: (2022-10-01) -
Pressure-Induced Monoclinic to Tetragonal Phase Transition in <i>R</i>TaO<sub>4</sub> (<i>R</i> = Nd, Sm): DFT-Based First Principles Studies
by: Saheli Banerjee, et al.
Published: (2023-02-01) -
Effect of Doping on the Electronic Structure of the Earth’s Lower Mantle Compounds: FeXO<sub>3</sub> with X = C, Al, Si
by: Evgeniy D. Chernov, et al.
Published: (2022-01-01)