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1

Stable isomers and electronic, vibrational, and optical properties of WS 2 nano-clusters: A first-principles study

Hafizi, Roohollah, Hashemifar, S. Javad, Alaei, Mojtaba, Jangrouei, MohammadReza, Akbarzadeh, Hadi

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 5.12 MB

english, 2016

2

Size effects on the structural, electronic, and optical properties of (5,0) finite-length carbon nanotube: An ab-initio electronic structure study

Tarighi Ahmadpour, Mahdi, Hashemifar, S. Javad, Rostamnejadi, Ali

Journal:

Journal of Applied Physics

Year:

2016

Language:

english

File:

PDF, 1.40 MB

english, 2016

3

A neural-network potential through charge equilibration for WS 2 : From clusters to sheets

Hafizi, Roohollah, Ghasemi, S. Alireza, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 7.92 MB

english, 2017

4

First principles study of structural and electronic properties of different phases of boron nitride

Rashid Ahmed, Fazal-e-Aleem, S. Javad Hashemifar, Hadi Akbarzadeh

Journal:

Physica B: Condensed Matter

Year:

2007

Language:

english

File:

PDF, 1.20 MB

english, 2007

5

First-principles study of the structural and electronic properties of III-phosphides

Rashid Ahmed, Fazal-e-Aleem, S. Javad Hashemifar, Hadi Akbarzadeh

Journal:

Physica B: Condensed Matter

Year:

2008

Language:

english

File:

PDF, 613 KB

english, 2008

6

Electric field gradient and magnetic hyperfine field in the bulk and surfaces of compound

Morteza Jamal, S. Javad Hashemifar, Hadi Akbarzadeh

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2010

Language:

english

File:

PDF, 579 KB

english, 2010

7

Study of Co2MnAl Heusler alloy as half metallic ferromagnet

Dibya Prakash Rai, Javad Hashemifar, Morteeza Jamal, Lalmuanpuia, M. P. Ghimire, Sandeep, D. T. Khathing, P. K. Patra, B. Indrajit Sharma, Rosangliana, R. K. Thapa

Journal:

Indian Journal of Physics

Year:

2010

Language:

english

File:

PDF, 209 KB

english, 2010

8

Ab initio study of structural and electronic properties of III-arsenide binary compounds

Rashid Ahmed, S. Javad Hashemifar, Hadi Akbarzadeh, Maqsood Ahmed, Fazal-e-Aleem

Journal:

Computational Materials Science

Year:

2007

Language:

english

File:

PDF, 869 KB

english, 2007

9

First-principles study of ring to cage structural crossover in small ZnO Clusters

Sarsari, I Abdolhosseini, Hashemifar, S Javad, Salamati, Hadi

Journal:

Journal of Physics Condensed Matter

Year:

2012

Language:

english

File:

PDF, 563 KB

english, 2012

10

First-principles prediction of half-metallicity at the low index surfaces of rocksalt KS

Moradi, M., Afshari, M., Hashemifar, S. Javad

Journal:

Surface Science

Year:

2013

Language:

english

File:

PDF, 1.54 MB

english, 2013

11

First-principles insights into p magnetism in CaC and CaN ionic compounds

Nourbakhsh, Zahra, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2013

Language:

english

File:

PDF, 281 KB

english, 2013

12

First-principle calculation of spin polarization in Cu3N2

Ghoohestani, Marzieh, Karimipour, Masoud, Allah Badehian, Hojat, Javad Hashemifar, Seyed

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2013

Language:

english

File:

PDF, 1.65 MB

english, 2013

13

First-principles study of H2 adsorption on the pristine and oxidized (8,0) carbon nanotube

Karami Horastani, Zahra, Hashemifar, S. Javad, Sayedi, S. Masoud, Sheikhi, M. Hossein

Journal:

International Journal of Hydrogen Energy

Year:

2013

Language:

english

File:

PDF, 1.29 MB

english, 2013

14

Half-metallicity at the Heusler alloy Co 2 Cr 0.5 Fe 0.5 Al(001) surface and its interface with GaAs(001)

Zarei, Sareh, Javad Hashemifar, S, Akbarzadeh, Hadi, Hafari, Zohre

Journal:

Journal of Physics Condensed Matter

Year:

2009

Language:

english

File:

PDF, 795 KB

english, 2009

15

First principles study of bulk CrSe and CrSe/ZnSe(001) interface

Hazrati, Ebrahim, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Journal of Applied Physics

Year:

2008

Language:

english

File:

PDF, 394 KB

english, 2008

16

First-principles insights into interaction of Au with small Co clusters

Aghajani, Mahdieh, Javad Hashemifar, S., Akbarzadeh, Hadi

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2014

Language:

english

File:

PDF, 4.55 MB

english, 2014

17

Ab initio study of different structures of CaC: Magnetism, bonding, and lattice dynamics

Nourbakhsh, Zahra, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Journal of Alloys and Compounds

Year:

2013

Language:

english

File:

PDF, 720 KB

english, 2013

18

The quasi-particle electronic structure of charged oxygen vacancies in TiO 2

Kazempour, Ali, Javad Hashemifar, S, Akbarzadeh, Hadi

Journal:

Physica Scripta

Year:

2013

Language:

english

File:

PDF, 237 KB

english, 2013

19

Density functional investigation of spin polarization in bulk and thin films of nitrogen intercalated Cu3N

Rezaei Sani, Seyed Mojtaba, Karimipour, Masoud, Ghoohestani, Marzieh, Hashemifar, Seyed Javad

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 1.93 MB

english, 2015

20

Surface: A Density Functional Theory Study

Hashemifar, S. Javad, Kratzer, Peter, Scheffler, Matthias

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 152 KB

english, 2005

21

interface

Khosravizadeh, Sh., Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 510 KB

english, 2009

22

Twin boundary energy and characterization of charge redistribution near the twin boundaries of cupperate superconductors

Mohammadi, Mahnaz, Khoshnevisan, Bahram, Javad Hashemifar, S.

Journal:

Physica C: Superconductivity

Year:

2014

Language:

english

File:

PDF, 1015 KB

english, 2014

23

The Effect of Oxygen Molecule Adsorption on Structural and Electrical Properties of (8, 0) Carbon Nanotube: A Density Functional Study

Horastani, Zahra Karami, Hashemifar, S. Javad, Sayedi, S. Masoud, Sheikhi, M. Hossein, Alaei, Reza

Journal:

Key Engineering Materials

Year:

2013

Language:

english

File:

PDF, 602 KB

english, 2013

24

First-principles insights into interaction of CO, NO, and HCN with Ag8

Torbatian, Zahra, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 925 KB

english, 2014

25

Thermoelectric properties of AgSbTe2 from first-principles calculations

Rezaei, Nafiseh, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Journal of Applied Physics

Year:

2014

Language:

english

File:

PDF, 1.46 MB

english, 2014

26

Density functional study of narrow cubic MnSe nanowires: Role of MnSe chains

Amiri, Peiman, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 476 KB

english, 2011

27

Density functional study of CaN mono and bilayer on Cu(001)

Zahedifar, Maedeh, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Year:

2014

Language:

english

File:

PDF, 744 KB

english, 2014

28

Stable structure and magnetic state of ultrathin CrAs films on GaAs(001): A density functional theory study

Hashemifar, S. Javad, Kratzer, Peter, Scheffler, Matthias

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 448 KB

english, 2010

29

Transition-metal silicides as materials for magnet-semiconductor heterostructures

Kratzer, Peter, Hashemifar, S. Javad, Wu, Hua, Hortamani, Mahbube, Scheffler, Matthias

Journal:

Journal of Applied Physics

Year:

2007

Language:

english

File:

PDF, 692 KB

english, 2007

30

Novel description of bonding and magnetism in 3d transition metal arsenides

Khosravizadeh, Shekoufeh, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Journal of Applied Physics

Year:

2013

Language:

english

File:

PDF, 885 KB

english, 2013

31

alloys

Hashemifar, S. Javad, Ghaderi, Nahid, Sirousi, Sedighe, Akbarzadeh, Hadi

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 413 KB

english, 2006

32

First principle study of Co[sub 2]MnSi/GaAs(001) heterostructures

Ghaderi, Nahid, Hashemifar, S. Javad, Akbarzadeh, Hadi, Peressi, Maria

Journal:

Journal of Applied Physics

Year:

2007

Language:

english

File:

PDF, 1.12 MB

english, 2007

33

Structural properties of narrow hexagonal MnAs nanowires: Role of edge atoms

Kazempour, Ali, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 321 KB

english, 2009

34

binary Heusler structures: Theory versus experiment

Zakeri, Khalil, Hashemifar, S. Javad, Lindner, Jürgen, Barsukov, Igor, Meckenstock, Ralf, Kratzer, Peter, Frait, Zdeněk, Farle, Michael

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 5.50 MB

english, 2008

35

Physical Properties of III-Antiminodes — a First Principles Study

Ahmed, Rashid, Fazal-E-Aleem,, Hashemifar, S. Javad, Rashid, Haris, Akbarzadeh, H

Journal:

Communications in Theoretical Physics

Year:

2009

Language:

english

File:

PDF, 1.16 MB

english, 2009

36

STRUCTURAL PROPERTIES OF III-NITRIDE BINARY COMPOUNDS: A COMPREHENSIVE STUDY

AHMED, RASHID, FAZAL-E-ALEEM,, RASHID, HARIS, AKBARZADEH, H., HASHEMIFAR, S. JAVAD

Journal:

Modern Physics Letters B

Year:

2009

Language:

english

File:

PDF, 251 KB

english, 2009

37

Density-functional study of the pure and palladium doped small copper and silver clusters

Kahnouji, Hamideh, Najafvandzadeh, Halimeh, Hashemifar, S. Javad, Alaei, Mojtaba, Akbarzadeh, Hadi

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 803 KB

english, 2015

38

First-principles calculation of semiclassical thermoelectric properties of (AgSbSe2)n(AgSbTe2)n superlattices

Salimi, Marzieh, Hashemifar, S. Javad

Journal:

Journal of Alloys and Compounds

Year:

2015

Language:

english

File:

PDF, 1.72 MB

english, 2015

39

Density functional study of CaN monolayer on SI(001)

Saati asr, Maryam, Zahedifar, Maedeh, Javad Hashemifar, S., Akbarzadeh, Hadi

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2015

Language:

english

File:

PDF, 958 KB

english, 2015

40

First-principles insights into f magnetism: A case study on some magnetic pyrochlores

Deilynazar, Najmeh, Khorasani, Elham, Alaei, Mojtaba, Javad Hashemifar, S.

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2015

Language:

english

File:

PDF, 1.15 MB

english, 2015

41

quaternary semiconductor alloys

El Haj Hassan, Fouad, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 368 KB

english, 2006

42

Calculated structural and electronic interactions of the nano dye molecule Ru(4, 4′ – COOH – 2, 2′ – bpy) 2 (NCS) 2 (N3) with a iodide/triiodide redox shuttle

Shomali, E., Abdolhosseini Sarsari, I., Javad Hashemifar, S., Alaei, M.

Journal:

Current Applied Physics

Year:

2017

Language:

english

File:

PDF, 1.76 MB

english, 2017

43

First-principles insights into role of hydrogen atom in black titania

Ataei, S. Samaneh, Hashemifar, S. Javad, Mohammadizadeh, Mohammad Reza

Journal:

Computational Materials Science

Year:

2017

Language:

english

File:

PDF, 880 KB

english, 2017

44

Effects of nanostructuring on luminescence properties of SrS:Ce,Sm phosphor: An experimental and phenomenological study

Yazdanmehr, Mohsen, Sadeghi, Hossein, Tehrani, Masoud Kavosh, Hashemifar, Seyed Javad, Mahdavi, Mohammad

Journal:

Optical Materials

Year:

2018

Language:

english

File:

PDF, 3.06 MB

english, 2018

45

Ab-initio investigation of Rb substitution in KTP single crystal

Ghoohestani, Marzieh, Arab, Ali, Hashemifar, S. Javad, Sadeghi, Hossein

Journal:

Journal of Applied Physics

Year:

2018

Language:

english

File:

PDF, 1.16 MB

english, 2018

46

First-principles study of MoS 2 and MoSe 2 nanoclusters in the framework of evolutionary algorithm and density functional theory

Hashemi, Zohreh, Rafiezadeh, Shohreh, Hafizi, Roohollah, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 9.27 MB

english, 2018

47

First-principles insights into ultrashort laser spectroscopy of molecular nitrogen

Jangrouei, Mohammad Reza, Hashemifar, S. Javad

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

2018

Language:

english

File:

PDF, 1.45 MB

english, 2018

48

Optical properties of body-centered tetragonal C 4 : Insights from many-body perturbation and time-dependent density functional theories

Tarighi Ahmadpour, Mahdi, Rostamnejadi, Ali, Hashemifar, S. Javad

Journal:

Journal of Applied Physics

Year:

2018

Language:

english

File:

PDF, 1.90 MB

english, 2018

49

The Effect of Pressure on Electronic and Magnetic Properties of MnAs Crystal

Moradiannejad, Farzad, Hashemifar, S. Javad, Akbarzadeh, Hadi

Journal:

Journal of Computational Methods in Physics

Year:

2013

Language:

english

File:

PDF, 2.33 MB

english, 2013

50

junction

Asgari, Amir, Hashemifar, Seyed Javad, Rezaei, Nafiseh, Gholizadeh, Hojjat

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

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