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1

Electronic Structure of Crystalline Buckyballs: fcc-C60

Jalali-Asadabadi, Saeid, Ghasemikhah, E., Ouahrani, T., Nourozi, B., Bayat-Bayatani, M., Javanbakht, S., Aliabad, H. A. Rahnamaye, Ahmad, Iftikhar, Nematollahi, J., Yazdani-Kachoei, M.

Journal:

Journal of Electronic Materials

Year:

2016

Language:

english

File:

PDF, 2.96 MB

english, 2016

2

Metal mono-chalcogenides ZnX and CdX (X = S, Se and Te) monolayers: Chemical bond and optical interband transitions by first principles calculations

Safari, Mandana, Izadi, Zohreh, Jalilian, Jaafar, Ahmad, Iftikhar, Jalali-Asadabadi, Saeid

Journal:

Physics Letters A

Year:

2017

Language:

english

File:

PDF, 2.12 MB

english, 2017

3

Thermoelectric properties of heavy fermion CeRhIn 5 using density functional theory combined with semiclassical Boltzmann theory

Yazdani-Kachoei, M., Jalali-Asadabadi, S.

Journal:

Year:

2019

File:

PDF, 2.07 MB

2019

4

Electronic Band Structures of the Highly Desirable III–V Semiconductors: TB-mBJ DFT Studies

Rehman, Gul, Shafiq, M., Saifullah,, Ahmad, Rashid, Jalali-Asadabadi, S., Maqbool, M., Khan, Imad, Rahnamaye-Aliabad, H., Ahmad, Iftikhar

Journal:

Journal of Electronic Materials

Year:

2016

Language:

english

File:

PDF, 1.24 MB

english, 2016

5

Electron correlation and spin-orbit coupling effects in scandium intermetallic compounds ScTM (TM = Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag and Au)

Iqbal, Rashid, Ali, Zahid, Jalali-Asadabadi, S., Ahmad, Iftikhar

Journal:

International Journal of Modern Physics B

Year:

2017

Language:

english

File:

PDF, 3.33 MB

english, 2017

6

Pressure dependency of localization degree in heavy fermion CeIn3: A density functional theory analysis

Yazdani-Kachoei, M., Jalali-Asadabadi, S., Ahmad, Iftikhar, Zarringhalam, Kourosh

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 2.76 MB

english, 2016

7

Theoretical study of α-U/W(110) thin films from density functional theory calculations: Structural, magnetic and electronic properties

M. Zarshenas, S. Jalali Asadabadi

Journal:

Thin Solid Films

Year:

2012

Language:

english

File:

PDF, 662 KB

english, 2012

8

Theoretical studies of strongly correlated rare-earth intermetallics RIn3 and RSn3 (R = Sm, Eu, and Gd)

Shafiq, M., Ahmad, Iftikhar, Jalali Asadabadi, S.

Journal:

Journal of Applied Physics

Year:

2014

Language:

english

File:

PDF, 513 KB

english, 2014

9

Conversion of optically isotropic to anisotropic CdSxSe1−x (0⩽x⩽1) alloy with S concentration

Khan, Imad, Ahmad, Iftikhar, Aliabad, H.A. Rahnamaye, Asadabadi, S. Jalali, Ali, Zahid, Maqbool, M.

Journal:

Computational Materials Science

Year:

2013

Language:

english

File:

PDF, 2.35 MB

english, 2013

10

Ab initio studies of electric field gradients and magnetic properties of uranium dipnicties

Ghasemikhah, E., Jalali Asadabadi, S., Ahmad, Iftikhar, Yazdani-Kacoei, M.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.11 MB

english, 2015

11

Electronic structure and electric-field gradient analysis in

Jalali Asadabadi, S.

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 565 KB

english, 2007

12

Elastic and mechanical properties of lanthanide monoxides

Shafiq, M., Arif, Suneela, Ahmad, Iftikhar, Asadabadi, S. Jalali, Maqbool, M., Rahnamaye Aliabad, H.A.

Journal:

Journal of Alloys and Compounds

Year:

2015

Language:

english

File:

PDF, 779 KB

english, 2015

13

DFT and post-DFT studies of metallic MXY3-type compounds for low temperature TE applications

Bilal, M., Saifullah,, Ahmad, Iftikhar, Jalali-Asadabadi, S., Ahmad, Rashid, Shafiq, M.

Journal:

Solid State Communications

Year:

2016

Language:

english

File:

PDF, 1.11 MB

english, 2016

14

Comparison of the electronic band profiles and magneto-optic properties of cubic and orthorhombic SrTbO3

Ali, Zahid, Khan, Imad, Ahmad, Iftikhar, Naeem, S., Rahnamaye Aliabad, H.A., Jalali Asadabadi, S., Zhang, D.

Journal:

Physica B: Condensed Matter

Year:

2013

Language:

english

File:

PDF, 1.32 MB

english, 2013

15

Mechanical properties and variation in SOC going from La to Nd in intermetallic RIn 3 and RSn 3 (R = La, Ce, Pr, Nd)

Shafiq, M., Ahmad, Iftikhar, Jalali-Asadabadi, S.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.09 MB

english, 2015

16

Hyperfine Field, Electric Field Gradient, Quadrupole Coupling Constant and Magnetic Properties of Challenging Actinide Digallide

Khan, Sajid, Yazdani-Kachoei, M., Jalali-Asadabadi, S., Ahmad, Iftikhar

Journal:

Physica B: Condensed Matter

Year:

2017

Language:

english

File:

PDF, 832 KB

english, 2017

17

Novel Graphene-like Co 2 VAl (111): Case Study on Magnetoelectronic and Optical Properties by First-Principles Calculations

Boochani, Arash, Nowrozi, Bromand, Khodadadi, Jabbar, Solaymani, Shahram, Jalali-Asadabadi, Saeid

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 2.03 MB

english, 2017

18

Theoretical studies of CsSnX3 (Xâ¯=â¯Cl, Br and I) for energy storage and hybrid solar cell applications

Ali, Liaqat, Ahmad, Murad, Shafiq, Muhammad, Zeb, Tahir, Ahmad, Rashid, Maqbool, M., Ahmad, Iftikhar, Jalali-Asadabadi, S., Amin, Bin

Journal:

Materials Today Communications

Year:

2020

File:

PDF, 3.17 MB

2020

19

First-principle studies of the ternary palladates CaPd3O4and SrPd3O4

KHAN, AMIN, ALI, ZAHID, KHAN, IMAD, ASADABADI, SAEID JALALI, AHMAD, IFTIKHAR

Journal:

Bulletin of Materials Science

Year:

2016

Language:

english

File:

PDF, 1.90 MB

english, 2016

20

Electronic structure and bandgap of γ-Al2O3compound using mBJ exchange potential

Mohsen Yazdanmehr, Saeid Jalali Asadabadi, Abolghasem Nourmohammadi, Majid Ghasemzadeh, Mahmood Rezvanian

Journal:

Nanoscale Research Letters

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

21

Magneto-electronic studies of the inverse-perovskite (Eu3O)In

Ali, Zahid, Khan, Banaras, Ahmad, Iftikhar, Khan, Imad, Asadabadi, S. Jalali

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2015

Language:

english

File:

PDF, 3.12 MB

english, 2015

22

Electronic band structures of binary skutterudites

Khan, Banaras, Aliabad, H.A. Rahnamaye, Saifullah,, Jalali-Asadabadi, S., Khan, Imad, Ahmad, Iftikhar

Journal:

Journal of Alloys and Compounds

Year:

2015

Language:

english

File:

PDF, 620 KB

english, 2015

23

Ab initio prediction of magnetically dead layers in freestanding γ-Ce(111)

Jalali Asadabadi, S., Kheradmand, F.

Journal:

Journal of Applied Physics

Year:

2010

Language:

english

File:

PDF, 867 KB

english, 2010

24

Effects of dangling bonds and diameter on the electronic and optical properties of InAs nanowires

Gordanian, E., Jalali-Asadabadi, S., Ahmad, Iftikhar, Rahimi, S., Yazdani-Kachoei, M.

Journal:

Year:

2015

Language:

english

File:

PDF, 2.08 MB

english, 2015

25

Topological analysis of electron density in half-Heusler ZrXBi (X = Co, Rh) compounds: A density functional theory study accompanied by Bader's quantum theory of atoms in molecules

Yazdani-Kachoei, M., Jalali-Asadabadi, S.

Journal:

Journal of Alloys and Compounds

Year:

2020

File:

PDF, 6.07 MB

2020

26

Optical properties of ideal γ-Al 2 O 3 and with oxygen point defects: an ab initio study

Papi, H., Jalali-Asadabadi, S., Nourmohammadi, A., Ahmad, Iftikhar, Nematollahi, J., Yazdanmehr, M.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.41 MB

english, 2015

27

Structural, electronic and optical properties of CsPbX 3 (X=Cl, Br, I) for energy storage and hybrid solar cell applications

Ahmad, Murad, Rehman, Gul, Ali, Liaqat, Shafiq, M., Iqbal, R., Ahmad, Rashid, Khan, Tahirzeb, Jalali-Asadabadi, S., Maqbool, Muhammad, Ahmad, Iftikhar

Journal:

Journal of Alloys and Compounds

Year:

2017

Language:

english

File:

PDF, 1.09 MB

english, 2017

28

Theoretical studies of cubic AuCu 3 -type intermetallic actinide compounds NpPx 3 (Px=Al, Ga, In)

Khan, Sajid, Yazdani-Kachoei, M., Jalali-Asadabadi, S., Ahmad, Iftikhar

Journal:

Year:

2018

Language:

english

File:

PDF, 795 KB

english, 2018

29

Topological analysis of CeMIn5 (M = Co, Rh) electron charge densities

Yazdani-Kachoei, M., Jalali-Asadabadi, S., Arianmehr, Negar

Journal:

Computational Materials Science

Year:

2019

File:

PDF, 12.87 MB

2019

30

First principle studies of electronic and magnetic properties of Lanthanide-Gold (RAu) binary Intermetallics

Ahmad, Sardar, Ahmad, Rashid, Jalali-Asadabadi, S., Ali, Zahid, Ahmad, Iftikhar

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2016

Language:

english

File:

PDF, 1.15 MB

english, 2016

31

Electronic and Magnetic Structures, Magnetic Hyperfine Fields and Electric Field Gradients in UX3 (X = In, Tl, Pb) Intermetallic Compounds

Khan, Sajid, Yazdani-Kachoei, Majid, Jalali-Asadabadi, Saeid, Farooq, Muhammad Bilal, Ahmad, Iftikhar

Journal:

Journal of Electronic Materials

Year:

2017

Language:

english

File:

PDF, 967 KB

english, 2017

32

Predictions of bandgap and subbands of γ−Al2O3 in presence of intrinsic point defects by DFT+TB-mBJ

Yazdanmehr, M., Jalali-Asadabadi, S., Nematollahi, J., Nourmohammadi, A., Ahmad, Iftikhar

Journal:

Computational Condensed Matter

Year:

2019

File:

PDF, 2.79 MB

2019

33

Thermoelectric and phononic properties of (Gd, Tb) MnO3 compounds: DFT calculations

Rahnamaye Aliabad, H.A., Barzanuni, Z., Sani, S. Ramezani, Yalcin, Battal G., Ahmad, Iftikhar, Jalali-Asadabadi, S., Vaezi, H., Dastras, M.

Journal:

Journal of Alloys and Compounds

Year:

2016

Language:

english

File:

PDF, 2.34 MB

english, 2016

34

Theoretical investigation of thermoelectric and elastic properties of intermetallic compounds ScTM (TM = Cu, Ag, Au and Pd)

Iqbal, R., Bilal, M., Jalali-Asadabadi, S., RahnamayeAliabad, H. A., Ahmad, Iftikhar

Journal:

International Journal of Modern Physics B

Year:

2017

Language:

english

File:

PDF, 727 KB

english, 2017

35

Elastic constants of cubic crystals

Jamal, M., Jalali Asadabadi, S., Ahmad, Iftikhar, Rahnamaye Aliabad, H.A.

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 382 KB

english, 2014

36

Structural and thermoelectric properties of pure and La, Y doped HoMnO3 for their use as alternative energy materials

Khan, Banaras, Rahnamaye Aliabad, H.A., Razghandi, N., Maqbool, M., Jalali Asadabadi, S., Ahmad, Iftikhar

Journal:

Computer Physics Communications

Year:

2015

Language:

english

File:

PDF, 1.02 MB

english, 2015

37

First-principle studies of the optoelectronic properties of ASnF 3 (A = Na, K, Rb and Cs)

Khan, Imad, Shehzad, Nasir, Ahmad, Iftikhar, Ali, Zahid, Jalali-Asadabadi, S.

Journal:

International Journal of Modern Physics B

Year:

2017

Language:

english

File:

PDF, 799 KB

english, 2017

38

Antiperovskite compounds SbNSr3 and BiNSr3: Potential candidates for thermoelectric renewable energy generators

Bilal, M., Saifullah,, Shafiq, M., Khan, B., Rahnamaye Aliabad, H.A., Jalali Asadabadi, S., Ahmad, Rashid, Ahmad, Iftikhar

Journal:

Physics Letters A

Year:

2015

Language:

english

File:

PDF, 1.58 MB

english, 2015

39

Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory

Bilal, M., Jalali-Asadabadi, S., Ahmad, Rashid, Ahmad, Iftikhar

Journal:

Journal of Chemistry

Year:

2015

Language:

english

File:

PDF, 3.09 MB

english, 2015

40

Photoluminescence emission of nanoporous anodic aluminum oxide films prepared in phosphoric acid

Abolghasem Nourmohammadi, Saeid Jalali Asadabadi…

Journal:

Nanoscale Research Letters

Year:

2012

Language:

english

File:

PDF, 438 KB

english, 2012

41

Ab initio analysis of electric-field gradients

Asadabadi, S. Jalali, Cottenier, S., Akbarzadeh, H., Saki, R., Rots, M.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 573 KB

english, 2002

42

Thermoelectric properties of metallic antiperovskites AXD3(A=Ge, Sn, Pb, Al, Zn, Ga; X=N, C; D=Ca, Fe, Co)

Bilal, Muhammad, Ahmad, Iftikhar, Asadabadi, Saeid Jalali, Ahmad, Rashid, Maqbool, Muhammad

Journal:

Electronic Materials Letters

Year:

2015

Language:

english

File:

PDF, 3.26 MB

english, 2015

43

Strongly correlated intermetallic rare-earth monoaurides (Ln-Au): ab-initio study

Ahmad, Sardar, Shafi, M., Ahmad, Rashid, Jalali-Asadabadi, S., Ahmad, Iftikhar

Journal:

Journal of Rare Earths

Year:

2018

Language:

english

File:

PDF, 650 KB

english, 2018

44

Topological analysis of CeMIn5 (M = Co, Rh) electron charge densities

Yazdani-Kachoei, M., Jalali-Asadabadi, S., Arianmehr, Negar

Journal:

Computational Materials Science

Year:

2019

Language:

english

File:

PDF, 12.87 MB

english, 2019

45

Detailed DFT studies of the band profiles and optical properties of antiperovskites SbNCa3 and BiNCa3

Bilal, M., Ahmad, Iftikhar, Rahnamaye Aliabad, H.A., Jalali Asadabadi, S.

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 2.02 MB

english, 2014

46

First-principles studies of pure and fluorine substituted alanines

Ahmad, Sardar, Vaizie, Hamide, Rahnamaye Aliabad, H. A., Ahmad, Rashid, Khan, Imad, Ali, Zahid, Jalali-Asadabadi, S., Ahmad, Iftikhar, Khan, Amir Abdullah

Journal:

International Journal of Modern Physics B

Year:

2016

Language:

english

File:

PDF, 939 KB

english, 2016

47

Theoretical studies of the osmium based perovskites AOsO3 (A=Ca, Sr and Ba)

Ali, Zahid, Sattar, Abdul, Asadabadi, S. Jalali, Ahmad, Iftikhar

Journal:

Journal of Physics and Chemistry of Solids

Year:

2015

Language:

english

File:

PDF, 2.03 MB

english, 2015

48

Predictions of bandgap and subbands of γ−Al2O3 in presence of intrinsic point defects by DFT+TB-mBJ

Yazdanmehr, M., Jalali-Asadabadi, S., Nematollahi, J., Nourmohammadi, A., Ahmad, Iftikhar

Journal:

Computational Condensed Matter

Year:

2019

Language:

english

File:

PDF, 2.79 MB

english, 2019

49

Magneto-electronic studies of anti-perovskites NiNMn3 and ZnNMn3

Ali, Zahid, Shafiq, M., Jalali Asadabadi, S., Rahnamaye Aliabad, H.A., Khan, Imad, Ahmad, Iftikhar

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 1.14 MB

english, 2014

50

rare-earth ions

Mollabashi, Leila, Jalali-Asadabadi, S.

Journal:

Physical Review B

Year:

2020

File:

PDF, 1.76 MB

2020

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