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Alireza Akbarzadeh
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First‐principles determination of multicomponent hydride phase diagrams: application to the Li‐Mg‐N‐H system
A R. Akbarzadeh, V Ozoliņš, C Wolverton
Advanced Materials 19 (20), 3233-3239, 2007
2422007
Finite-temperature properties of Ba (Zr, Ti) O 3 relaxors from first principles
AR Akbarzadeh, S Prosandeev, EJ Walter, A Al-Barakaty, L Bellaiche
Physical review letters 108 (25), 257601, 2012
1692012
Combined theoretical and experimental study of the low-temperature properties of
AR Akbarzadeh, I Kornev, C Malibert, L Bellaiche, JM Kiat
Physical Review B 72 (20), 205104, 2005
1532005
Discovery of novel hydrogen storage materials: an atomic scale computational approach
C Wolverton, DJ Siegel, AR Akbarzadeh, V Ozoliņš
Journal of Physics: Condensed Matter 20 (6), 064228, 2008
1272008
Field-induced percolation of polar nanoregions in relaxor ferroelectrics
S Prosandeev, D Wang, AR Akbarzadeh, B Dkhil, L Bellaiche
Physical review letters 110 (20), 207601, 2013
982013
Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3
Y Nahas, A Akbarzadeh, S Prokhorenko, S Prosandeev, R Walter, ...
Nature communications 8, 15944, 2017
792017
First-principles determination of crystal structures, phase stability, and reaction thermodynamics in the Li-Mg-Al-H hydrogen storage system
AR Akbarzadeh, C Wolverton, V Ozolins
Physical Review B 79 (18), 184102, 2009
692009
Atomistic simulations of the incipient ferroelectric K Ta O 3
AR Akbarzadeh, L Bellaiche, K Leung, J ═˝iguez, D Vanderbilt
Physical Review B 70 (5), 054103, 2004
672004
First-Principles Study of the Li− Mg− N− H System: Compound Structures and Hydrogen-Storage Properties
KJ Michel, AR Akbarzadeh, V Ozolins
The Journal of Physical Chemistry C 113 (32), 14551-14558, 2009
342009
First-principles computational discovery of materials for hydrogen storage
V Ozolins, AR Akbarzadeh, H Gunaydin, K Michel, C Wolverton, ...
Journal of Physics: Conference Series 180 (1), 012076, 2009
272009
Theoretical phase diagram of ultrathin films of incipient ferroelectrics
AR Akbarzadeh, L Bellaiche, J ═˝iguez, D Vanderbilt
Applied physics letters 90 (24), 242918, 2007
242007
First-principles-based effective Hamiltonian simulations of bulks and films made of lead-free Ba(Zr,Ti)O3 relaxor ferroelectrics
S Prosandeev, D Wang, AR Akbarzadeh, L Bellaiche
Journal of Physics.: Condensed Matter 27, 223202, 2015
222015
First-principles prediction of high-capacity, thermodynamically reversible hydrogen storage reactions based on (NH 4) 2 B 12 H 12
WQ Sun, C Wolverton, AR Akbarzadeh, V Ozolins
Physical Review B 83 (6), 064112, 2011
182011
Crucial role of surface in stability and mobility of vacancy clusters in metals
AR Akbarzadeh, ZZ Chen, N Kioussis
Physical Review B 79 (19), 195404, 2009
172009
Quantum-fluctuation-stabilized orthorhombic ferroelectric ground state in lead-free piezoelectric (Ba, Ca)(Zr, Ti) O
A Akbarzadeh, K Brajesh, Y Nahas, N Kumar, S Prokhorenko, D Swain, ...
Physical Review B 98, 104101, 2018
122018
Discovery of incipient ferrotoroidics from atomistic simulations
S Prosandeev, AR Akbarzadeh, L Bellaiche
Physical review letters 102 (25), 257601, 2009
102009
Metalloboranes from first-principles calculations: A candidate for high-density hydrogen storage
AR Akbarzadeh, D Vrinceanu, CJ Tymczak
arXiv preprint arXiv:1512.02128, 2015
12015
Erratum: First-principles prediction of high-capacity, thermodynamically reversible hydrogen storage reactions based on (NH 4) 2 B 12 H 12 [Phys. Rev. B 83, 064112 (2011)]
WQ Sun, C Wolverton, AR Akbarzadeh, V Ozolins
Physical Review B 84 (9), 099902, 2011
12011
High density H2 associative absorption on Titanium alpha-borozene (Ti2B6H6): An ab-initio case study
A Akbarzadeh, CJ Tymzcak
APS March Meeting Abstracts 2011, K1. 081, 2011
12011
First-principles density functional studies of high-performance hydrogen storage materials
V Ozolins, A Akbarzadeh, EH Majzoub, D Siegel, C Wolverton
233rd ACS National Meeting, 2007
12007
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