First-principles study of spontaneous polarisation and water dipole moment in ferroelectric ice XI

2012 ◽  
Vol 38 (5) ◽  
pp. 369-372 ◽  
Author(s):  
Fumiyuki Ishii ◽  
Kei Terada ◽  
Shinichi Miura
Keyword(s):  
Dipole Moment ◽  
First Principles ◽  
First Principles Study ◽  
Water Dipole ◽  
Spontaneous Polarisation

Electronic properties of Janus MXY/graphene (M = Mo, W; X ≠ Y = S, Se) van der Waals structures: a first-principles study

2020 ◽  
Vol 22 (44) ◽  
pp. 25675-25684
Author(s):  
Shiqiang Yu ◽  
Wei Wei ◽  
Fengping Li ◽  
Baibiao Huang ◽  
Ying Dai
Keyword(s):  
Dipole Moment ◽  
Electronic Properties ◽  
First Principles ◽  
Van Der Waals ◽  
Band Alignment ◽  
First Principles Study ◽  
Intrinsic Dipole Moment

The intrinsic dipole moment is a crucial factor for the interlayer band alignment and the contact nature.

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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