Materials Science · Physics
Elastic, electronic, bonding, and optical properties of WTe2 Weyl semimetal: A comparative investigation with MoTe2 from first principles
B. Rahman Rano, Ishtiaque M. Syed, S. H. Naqib
2020-12-01
Materials Science · Physics
Ab initio approach to the elastic, electronic, and optical properties of MoTe2: A topological Weyl semimetal
B. Rahman Rano, Ishtiaque M. Syed, S. H. Naqib
2020-03-03
Computational Physics · Physics
Effect of the polar distortion on the thermoelectric properties of GeTe
Aida Sheibani, Charles Paillard, Abhyian Pandit, Raad Haleoot +2
2026-01-06
Materials Science · Physics
Acoustic-Soft Optical Mode Coupling Leads to Negative Thermal Expansion of GeTe near the Ferroelectric Phase Transition
Đorđe Dangić, Aoife R. Murphy, Éamonn D. Murray, Stephen Fahy +1
2018-07-10
Materials Science · Physics
High-accuracy first-principles determination of the structural, vibrational and thermodynamical properties of diamond, graphite, and derivatives
Nicolas Mounet, Nicola Marzari
2009-11-10
Materials Science · Physics
Unraveling the electronic, vibrational, thermodynamic, optical and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ from first-principles calculations
Debidutta Pradhan, Rojalin Swain, Souvagya Kumar Biswal, Jagadish Kumar
2025-03-28
Materials Science · Physics
Structural and thermal transport properties of ferroelectric domain walls in GeTe from first principles
Đorđe Dangić, Éamonn D. Murray, Stephen Fahy, Ivana Savić
2020-04-16
Materials Science · Physics
Systematic treatment of displacements, strains and electric fields in density-functional perturbation theory
Xifan Wu, David Vanderbilt, D. R. Hamann
2009-12-18
Materials Science · Physics
A detailed first-principles study of the structural, elastic, thermomechanical and optoelectronic properties of binary rare-earth tritelluride NdTe3
Tanbin Chowdhury, B. Rahman Rano, Ishtiaque M. Syed, S. H. Naqib
2024-09-12
Materials Science · Physics
Promising Ferroelectricity in 2D Group IV Tellurides: a First-Principles Study
Wenhui Wan, Chang Liu, Wende Xiao, Yugui Yao
2017-10-02
Materials Science · Physics
First-principles study of vibrational and dielectric properties of {\beta}-Si3N4
Yongqing Cai, Qingfeng Zeng, Litong Zhang, Laifei Cheng +1
2015-05-28
Materials Science · Physics
Ferroelectricity and Rashba effect in GeTe
C. Rinaldi, D. Di Sante, A. Giussani, R. -N. Wang +8
2021-03-16
Materials Science · Physics
Probing ferroelectricity in highly conducting materials through their elastic response: persistence of ferroelectricity in metallic BaTiO3-d
F. Cordero, F. Trequattrini, F. Craciun, H. T. Langhammer +2
2019-02-20
Materials Science · Physics
Controllable spin splitting in 2D Ferroelectric few-layer ${$\gamma}$-GeSe
Shuyi Shi, Kuan-Rong Hao, Xing-Yu Ma, Qing-Bo Yan +1
2023-07-05
Materials Science · Physics
Structural, elastic, bonding, optoelectronic, and some thermo-physical properties of transition metal dichalcogenides ZrX2 (X = S, Se, Te): Insights from ab-initio calculations
Md. Mahamudujjaman, Md. Asif Afzal, R. S. Islam, S. H. Naqib
2021-02-25
Materials Science · Physics
DFT based insights into elastic, thermophysical, electronic and optical properties of topological insulators XTe5 (X = Zr, Hf)
Syed Shovon Mahbub Mahin, Suptajoy Barua, B. Rahman Rano, Ishtiaque M. Syed +1
2025-04-24
Mesoscale and Nanoscale Physics · Physics
Thermoelectric calculations of ring-shaped bands in two-dimensional Bi$_2$Te$_3$, Bi$_2$Se$_3$ and Sb$_2$Te$_3$: a comparison of simple scattering approximations
Cameron Rudderham, Jesse Maassen
2021-04-14