Comprehensive search for topological materials using symmetry indicators
Over the past decade, topological materials—in which the topology of electron bands in the
bulk material leads to robust, unconventional surface states and electromagnetism—have …
bulk material leads to robust, unconventional surface states and electromagnetism—have …
The structural, elastic, electronic and optical properties of MgCu under pressure: A first-principles study
MA Rahman, MZ Rahaman… - International Journal of …, 2016 - World Scientific
The effect of pressure on the structural, elastic and electronic properties of the intermetallic
compound MgCu with a CsCl-type structure have been investigated using ab initio …
compound MgCu with a CsCl-type structure have been investigated using ab initio …
First-principles investigation of structural and electronic properties of MgCu2 Laves phase under pressure
Y Liu, WC Hu, D Li, XQ Zeng, CS Xu, XJ Yang - Intermetallics, 2012 - Elsevier
The effects of pressure on the structural, electronic properties and ionic configuration of
MgCu2 Laves phase were investigated by means of the first-principles method based on the …
MgCu2 Laves phase were investigated by means of the first-principles method based on the …
The nucleation crystallography and wettability of Mg grains on active Al2Y inoculants in an Mg–10 wt% Y Alloy
Heterogeneous nucleation of metals from liquid is a key concept in physical metallurgy and
is of great technological significance in grain refining of cast metals and alloys. However, it is …
is of great technological significance in grain refining of cast metals and alloys. However, it is …
Probing the stability, adhesion strength, and fracture mechanism of Mg/Al2Y interfaces via first-principles calculations
The interface is the “link bridge” between the reinforced phase and the matrix, and its
microstructures and configurations will directly affect the overall performance of composites …
microstructures and configurations will directly affect the overall performance of composites …
First-principles investigation of thermodynamic, elastic and electronic properties of Al3V and Al3Nb intermetallics under pressures
The thermodynamic, elastic, and electronic properties of D0 22-type Al 3 V and Al 3 Nb
intermetallics were studied using the first-principle method. The results showed the pressure …
intermetallics were studied using the first-principle method. The results showed the pressure …
Structural, elastic and electronic properties of C14-type Al2M (M= Mg, Ca, Sr and Ba) Laves phases
M Lishi, D Yonghua, L Runyue - Physica B: Condensed Matter, 2017 - Elsevier
The structural and mechanical properties, Debye temperatures and anisotropic sound
velocities of the Laves phases Al 2 M (M= Mg, Ca, Sr and Ba) with C14-type structure were …
velocities of the Laves phases Al 2 M (M= Mg, Ca, Sr and Ba) with C14-type structure were …
Static isotropic pressure induced semiconductor–metal transition and its impact on structural, electronic, elastic, mechanical and optical properties of SrCeO3
The main motive of this study is to investigate the structural, mechanical, and optoelectronic
changes upon applied pressure from 0–174 GPa on SrCeO3. We are keen to observe …
changes upon applied pressure from 0–174 GPa on SrCeO3. We are keen to observe …
Mechanical, electronic and thermodynamic properties of Mg2Ca Laves phase under high pressure: A first-principles calculation
P Mao, B Yu, Z Liu, F Wang, Y Ju - Computational materials science, 2014 - Elsevier
The mechanical, electronic and thermodynamic properties of C14-type Mg 2 Ca Laves
phase under various pressure were investigated by means of first-principles calculations …
phase under various pressure were investigated by means of first-principles calculations …
Predictions of the structural, electronic and thermodynamic properties of the anti-fluorite-type Mg2Sn under pressure from first principles
Y Liu, WC Hu, DJ Li, XQ Zeng, CS Xu - Physica Scripta, 2013 - iopscience.iop.org
Using first-principles calculations based on density functional theory, the structural,
electronic and thermodynamic properties of Mg 2 Sn in anti-fluorite structure under …
electronic and thermodynamic properties of Mg 2 Sn in anti-fluorite structure under …