Zobrazeno 1 - 10
of 101
pro vyhledávání: '"Akbarzadeh Hadi"'
Publikováno v:
Open Physics, Vol 6, Iss 1, Pp 64-75 (2008)
Externí odkaz:
https://doaj.org/article/0f65ee1850b5434fa6fcf43e85aad63e
We present \texttt{ESpinS} (Esfahan Spin Simulation) package to evaluate the thermodynamic properties of spin systems described by a spin model Hamiltonian. In addition to the Heisenberg exchange term, the spin Hamiltonian can contain interactions su
Externí odkaz:
http://arxiv.org/abs/1912.00793
Autor:
Nourbakhsh, Zahra, Akbarzadeh, Hadi
Publikováno v:
Solar Energy 184 (2019) 372
On the basis of density functional calculations and using Bader's atom in molecule theory, this article presents quantitative microscopic analyses on the bonding properties of amorphous silicon (a-Si) which could reflect in the observable mechanical
Externí odkaz:
http://arxiv.org/abs/1904.02421
Publikováno v:
Phys. Rev. B 100, 054441 (2019)
Pyrochlore FeF$_{3}$ (pyr-FeF$_{3}$) is a Heisenberg anti-ferromagnetic (AF) with a magnetic susceptibility deviating from the Curie-Weiss law, even at the room temperature. This compound shows a transition to a long-range ordered state with all-in a
Externí odkaz:
http://arxiv.org/abs/1810.03457
Autor:
Rezaei, Nafise, Hashemifar, Tayebehsadat, Alaei, Mojtaba, Shahbazi, Farhad, Hashemifar, S. Javad, Akbarzadeh, Hadi
{\it Ab initio} calculations, GGA/GGA+$U$, are used to propose a spin Hamiltonian for the B-site ordered double perovskite, Sr$_{2}$NiWO$_{6}$. Our results show that the exchange interaction constants between the next nearest neighbors in both intra-
Externí odkaz:
http://arxiv.org/abs/1806.09395
Autor:
Hashemi, Zohre, Rafiezadeh, Shohreh, Hafizi, Roohollah, Hashemifar, S. Javad, Akbarzadeh, Hadi
Evolutionary algorithm is combined with full-potential ab-initio calculations to investigate conformational space of (MoS$_2$)$_n$ and (MoSe$_2$)$_n$ (n=1-10) nanoclusters and to identify the lowest energy structural isomers of these systems. It is a
Externí odkaz:
http://arxiv.org/abs/1710.00052
Publikováno v:
In Computational Materials Science 1 February 2022 202
Autor:
Hafizi, Roohollah, Hashemifar, S. Javad, Alaei, Mojtaba, Jangrouei, MohammadReza, Akbarzadeh, Hadi
In this paper, we employ evolutionary algorithm along with the full-potential density functional theory (DFT) computations to perform a comprehensive search for the stable structures of stoichiometric (WS2)n nano-clusters (n=1-9), within three differ
Externí odkaz:
http://arxiv.org/abs/1606.08355
We have investigated the role of temperature and magnetic effects on the stacking-fault energy (SFE) in pure austenitic iron based on Density Functional Theory (DFT) calculations. Using the axial next-nearest-neighbor Ising (ANNNI) model, the SFE is
Externí odkaz:
http://arxiv.org/abs/1505.00431
Autor:
Kahnouji, Hamideh, Najafvandzadeh, Halimeh, Hashemifar, S. Javad, Alaei, Mojtaba, Akbarzadeh, Hadi
The size-dependent electronic, structural, magnetic and vibrational properties of small pure cop- per and silver clusters and their alloys with one and two palladium atoms are studied by using full-potential all-electron density functional computatio
Externí odkaz:
http://arxiv.org/abs/1502.00107