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1

First principles study of structural and optoelectronic properties of Li based half Heusler alloys

Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K., Kushwaha, A.K.

Journal:

Computational Condensed Matter

Year:

2018

Language:

english

File:

PDF, 4.62 MB

english, 2018

2

Wigner crystallization of quadratically dispersing electrons in graphene

Kombiah Iyakutti, Velappa Jayaraman Surya, Ratnavelu Rajeswarapalanichamy, Yoshiyuki Kawazoe

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 1014 KB

english, 2012

3

Pressure induced phase transition of molybdenum nitride: A first principles study

A.T. Asvini meenaatci, R. Rajeswarapalanichamy, K. Iyakutti

Journal:

Thin Solid Films

Year:

2012

Language:

english

File:

PDF, 1.28 MB

english, 2012

4

Effect of surface doping on the band structure of graphene: a DFT study

Iyakutti, K., Kumar, E. Mathan, Lakshmi, I., Thapa, Ranjit, Rajeswarapalanichamy, R., Surya, V. J., Kawazoe, Y.

Journal:

Journal of Materials Science: Materials in Electronics

Year:

2015

Language:

english

File:

PDF, 4.58 MB

english, 2015

5

Effect of multiple defects and substituted impurities on the band structure of graphene: a DFT study

Iyakutti, K., Mathan Kumar, E., Thapa, Ranjit, Rajeswarapalanichamy, R., Surya, V. J., Kawazoe, Y.

Journal:

Journal of Materials Science: Materials in Electronics

Year:

2016

Language:

english

File:

PDF, 4.07 MB

english, 2016

6

Half metallic ferromagnetism in Ni based half Heusler alloys

Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Computational Materials Science

Year:

2018

Language:

english

File:

PDF, 4.26 MB

english, 2018

7

Electronic and Optical Properties of Cubic Perovskites CsPbCl3−yIy (y = 0, 1, 2, 3)

Padmavathy, R., Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Zeitschrift für Naturforschung A

Year:

2019

Language:

english

File:

PDF, 3.95 MB

english, 2019

8

First principles study of pressure-induced magnetic transition in CrN

A.T. Asvini meenaatci, R. Rajeswarapalanichamy, K. Iyakutti

Journal:

Physica B: Condensed Matter

Year:

2011

Language:

english

File:

PDF, 934 KB

english, 2011

9

First-principles study of electronic structure of transition metal nitride: ReN under normal and high pressure

A.T. Asvini meenaatci, R. Rajeswarapalanichamy, K. Iyakutti

Journal:

Physica B: Condensed Matter

Year:

2011

Language:

english

File:

PDF, 784 KB

english, 2011

10

Ferromagnetic vs. nonmagnetic phases of 2-D Wigner electron crystal

R. Rajeswarapalanichamy, K. Iyakutti

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 103 KB

english, 2003

11

Antiferromagnetic phase of a 2-D Wigner crystal

R. Rajeswarapalanichamy, K. Iyakutti

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 111 KB

english, 2005

12

First principles study of pressure induced structural phase transition in hydrogen storage material—MgH2

S. Kanagaprabha, A.T. Asvinimeenaatci, R. Rajeswarapalanichamy, K. Iyakutti

Journal:

Physica B: Condensed Matter

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

13

AIP Conference Proceedings [AIP PROCEEDING OF INTERNATIONAL CONFERENCE ON RECENT TRENDS IN APPLIED PHYSICS AND MATERIAL SCIENCE: RAM 2013 - Bikaner, Rajasthan, India (1–2 February 2013)] - Elasticity and structural phase transition in TiH and VH: An ab initio study

Kanagabrabha, S., Santhosh, M., Sudhapriyanga, G., Asvinimeenaatci, A. T., Rajeswarapalanichamy, R., Iyakutti, K.

Year:

2013

Language:

english

File:

PDF, 750 KB

english, 2013

14

Electronic structure, structural stability, mechanical and superconducting properties of group VB nitrides: A first principles study

Asvini Meenaatci, A.T., Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Solid State Sciences

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

15

Halfmetallic ferromagnetism in rare earth nitrides RENs (RE=Gd, Dy, and Ho): A first principles study

Rajeswarapalanichamy, R., Asvini Meenaatci, A.T., Iyakutti, K.

Journal:

Ceramics International

Year:

2014

Language:

english

File:

PDF, 4.16 MB

english, 2014

16

First principles study of structural, electronic and elastic properties of group IB metal nitrides TMNx (TM=Cu, Ag and Au: x=1, 2)

Rajeswarapalanichamy, R., Priyanga, G. Sudha, Murugan, A., Santhosh, M., Cinthia, A. Jemmy, Kanagaprabha, S., Iyakutti, K.

Journal:

Journal of Alloys and Compounds

Year:

2013

Language:

english

File:

PDF, 2.01 MB

english, 2013

17

Structural stability, electronic structure and mechanical properties of 4d transition metal nitrides TMN (TM=Ru, Rh, Pd)

Rajeswarapalanichamy, R., Priyanga, G. Sudha, Kavitha, M., Puvaneswari, S., Iyakutti, K.

Journal:

Journal of Physics and Chemistry of Solids

Year:

2014

Language:

english

File:

PDF, 1.72 MB

english, 2014

18

Structural, electronic and elastic properties of noble metal sub-nitrides M2N (M=Ru, Rh, Pd)

Rajeswarapalanichamy, R., Sudha Priyanga, G., Kavitha, M., Puvaneswari, S., Iyakutti, K.

Journal:

International Journal of Refractory Metals and Hard Materials

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

19

Investigation of structural stability and electronic properties of group III nitrides: a first principles study

Meenaatci, A.T. Asvini, Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Phase Transitions

Year:

2013

Language:

english

File:

PDF, 1.39 MB

english, 2013

20

Structural stability, electronic structure and mechanical properties of platinum group metal nitrides PGMN (PGM=Os, Ir, Pt)

Rajeswarapalanichamy, R., Sudha Priyanga, G., Puvaneswari, S., Iyakutti, K.

Journal:

International Journal of Refractory Metals and Hard Materials

Year:

2015

Language:

english

File:

PDF, 3.41 MB

english, 2015

21

First principles study of structural stability, electronic structure and mechanical properties of ReN and TcN

Rajeswarapalanichamy, R., Kavitha, M., Sudha Priyanga, G., Iyakutti, K.

Journal:

Journal of Physics and Chemistry of Solids

Year:

2015

Language:

english

File:

PDF, 1.57 MB

english, 2015

22

Structural, electronic, elastic and superconducting properties of noble metal nitrides MN2 (M = Ru, Rh, Pd)

Puvaneswari, S., Rajeswarapalanichamy, R., Sudha Priyanga, G.

Journal:

Materials Chemistry and Physics

Year:

2015

Language:

english

File:

PDF, 1.51 MB

english, 2015

23

ANTIFERROMAGNETIC PHASE OF WIGNER ELECTRON CRYSTAL

RAJESWARAPALANICHAMY, R., IYAKUTTI, K.

Journal:

International Journal of Modern Physics B

Year:

2001

Language:

english

File:

PDF, 429 KB

english, 2001

24

First principles study of the structural, electronic, mechanical and superconducting properties of WX (X=C, N)

Kavitha, M., Sudha Priyanga, G., Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Journal of Physics and Chemistry of Solids

Year:

2015

Language:

english

File:

PDF, 2.60 MB

english, 2015

25

Structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=Be, Mg, Ca, Sr, Ba)

Cinthia, A. Jemmy, Priyanga, G. Sudha, Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Journal of Physics and Chemistry of Solids

Year:

2015

Language:

english

File:

PDF, 1.07 MB

english, 2015

26

Structural, Electronic and Elastic Properties of ZnO and CdO: A First-Principles Study

JemmyCinthia, A., Sudhapriyang, G., Rajeswarapalanichamy, R., Santhosh, M.

Journal:

Procedia Materials Science

Year:

2014

File:

PDF, 1.24 MB

2014

27

Structural stability, electronic structure and mechanical properties of ZnN and CdN: A first principles study

Rajeswarapalanichamy, R., Sudha Priyanga, G., Jemmy Cinthia, A., Iyakutti, K.

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 1.10 MB

english, 2015

28

First principles study of structural, electronic, elastic and magnetic properties of gadolinium hydride system GdHx (x=1, 2, 3)

Priyanga, G. Sudha, Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Materials Science in Semiconductor Processing

Year:

2015

Language:

english

File:

PDF, 3.91 MB

english, 2015

29

First principles study of structural stability, electronic structure and mechanical properties of alkali beryllium hydrides ABeH3 (A=K, Rb, Cs)

Santhosh, M., Kanagaprabha, S., Rajeswarapalanichamy, R., Sudha priyanga, G., Iyakutti, K.

Journal:

Journal of Physics and Chemistry of Solids

Year:

2015

Language:

english

File:

PDF, 1.95 MB

english, 2015

30

Structural Stability, Electronic Structure and Mechanical Properties of Li–N–H System

Rajeswarapalanichamy, Ratnavelu, Santhosh, Manoharan, Sudhapriyanga, Ganesapandian, Kanagaprabha, Shanmugam, Iyakutti, Kombaih

Journal:

Acta Metallurgica Sinica (English Letters)

Year:

2015

Language:

english

File:

PDF, 1022 KB

english, 2015

31

First principles study of structural, electronic, elastic and magnetic properties of cerium and praseodymium hydrogen system REHx (RE: Ce, Pr and x=2, 3)

Priyanga, G. Sudha, Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Journal of Rare Earths

Year:

2015

Language:

english

File:

PDF, 2.68 MB

english, 2015

32

Structural, electronic, mechanical and magnetic properties of rare earth nitrides REN (RE= Pm, Eu and Yb)

Murugan, A., Rajeswarapalanichamy, R., Santhosh, M., Iyakutti, K.

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2015

Language:

english

File:

PDF, 4.72 MB

english, 2015

33

Investigation of Structural, Electronic and Mechanical Properties of Rubidium Metal Hydrides RbMH4 (M = B, Al, Ga)

Manoharan, Santhosh, Ratnavelu, Rajeswarapalanichamy, Ganesapandian, Sudhapriyanga, Shanmugam, Kanagaprabha, Kombiah, Iyakutti

Journal:

Acta Metallurgica Sinica (English Letters)

Year:

2015

Language:

english

File:

PDF, 1.36 MB

english, 2015

34

First Principles Study of Stability and Electronic Structure of TMH and TMH 2 (TM~=~Y, Zr,~Nb)

Kanagaprabha, S., Asvinimeenaatci, A.T., Sudhapriyanga, G., Jemmy Cinthia, A., Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Acta Physica Polonica A

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

35

Density Functional Study of Bulk and Surface Properties of Rhodium Hydride

Sudhapriyanga, G., Asvinimeenaatci, A. T., Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Acta Physica Polonica A

Year:

2014

Language:

english

File:

PDF, 1.28 MB

english, 2014

36

AIP Conference Proceedings [AIP PROCEEDING OF INTERNATIONAL CONFERENCE ON RECENT TRENDS IN APPLIED PHYSICS AND MATERIAL SCIENCE: RAM 2013 - Bikaner, Rajasthan, India (1–2 February 2013)] - First principles study of CrH and CrM[sub 2]H

Kanagaprabha, S., Santhosh, M., Rajeswarapalanichamy, R., Iyakutti, K.

Year:

2013

Language:

english

File:

PDF, 186 KB

english, 2013

37

AIP Conference Proceedings [AIP PROCEEDING OF INTERNATIONAL CONFERENCE ON RECENT TRENDS IN APPLIED PHYSICS AND MATERIAL SCIENCE: RAM 2013 - Bikaner, Rajasthan, India (1–2 February 2013)] - Electronic, structural and ground state properties of 3d transition metal mononitrides: A first principles study

Rajeswarapalanichamy, R., Santhosh, M., Priyanga, G. Sudha, Asvini Meenaatci, A. T., Kanagaprabha, S.

Year:

2013

Language:

english

File:

PDF, 187 KB

english, 2013

38

AIP Conference Proceedings [AIP Publishing LLC SOLID STATE PHYSICS: Proceedings of the 58th DAE Solid State Physics Symposium 2013 - Thapar University, Patiala, Punjab, India (17–21 December 2013)] - Pressure induced structural and magnetic phase transition in magnesium nitrides MgNx (x = 1, 2, 3): A first principles study

Rajeswarapalanichamy, R., Sudhapriyanga, G., Cinthia, A. Jemmy, Santhosh, M., Murugan, A.

Year:

2014

Language:

english

File:

PDF, 498 KB

english, 2014

39

AIP Conference Proceedings [AIP Publishing LLC SOLID STATE PHYSICS: Proceedings of the 58th DAE Solid State Physics Symposium 2013 - Thapar University, Patiala, Punjab, India (17–21 December 2013)] - Investigation of structural stability and elastic properties of Zrh and Zrh2: A first principles study

Kanagaprabha, S., Rajeswarapalanichamy, R., Sudhapriyanga, G., Murugan, A., Santhosh, M., Iyakutti, K.

Year:

2014

Language:

english

File:

PDF, 249 KB

english, 2014

40

AIP Conference Proceedings [AIP Publishing LLC SOLID STATE PHYSICS: Proceedings of the 58th DAE Solid State Physics Symposium 2013 - Thapar University, Patiala, Punjab, India (17–21 December 2013)] - Half metallic ferromagnetism in alkali metal nitrides MN (M = Rb, Cs): A first principles study

Murugan, A., Rajeswarapalanichamy, R., Santhosh, M., Sudhapriyanga, G., Kanagaprabha, S.

Year:

2014

Language:

english

File:

PDF, 461 KB

english, 2014

41

AIP Conference Proceedings [AIP Publishing LLC SOLID STATE PHYSICS: Proceedings of the 58th DAE Solid State Physics Symposium 2013 - Thapar University, Patiala, Punjab, India (17–21 December 2013)] - Structural phase transition and elastic properties of hafnium dihydride: A first principles study

Santhosh, M., Rajeswarapalanichamy, R., Kanagaprabha, S., Sudhapriyanga, G., Murugan, A., Chinthia, A. Jemmy, Iyakutti, K.

Year:

2014

Language:

english

File:

PDF, 293 KB

english, 2014

42

AIP Conference Proceedings [AIP SOLID STATE PHYSICS: Proceedings of the 56th DAE Solid State Physics Symposium 2011 - SRM University, Kattankulathur, Tamilnadu, India (19–23 December 2011)] - Electronic structure and magnetic properties of FeH and CoH

Kanagaprabha, S., Asvini Meenaatci, A. T., Rajeswarapalanichamy, R., Iyakutti, K.

Year:

2012

Language:

english

File:

PDF, 398 KB

english, 2012

43

AIP Conference Proceedings [AIP SOLID STATE PHYSICS: Proceedings of the 56th DAE Solid State Physics Symposium 2011 - SRM University, Kattankulathur, Tamilnadu, India (19–23 December 2011)] - Pressure induced superconductivity in transition metal trihydrides: An ab-initio study

Kanagaprabha, S., Asvini Meenaatci, A. T., Rajeswarapalanichamy, R., Iyakutti, K.

Year:

2012

Language:

english

File:

PDF, 335 KB

english, 2012

44

Structural, electronic, mechanical and superconducting properties of ReC and TcC

M. Kavitha, G. Sudha Priyanga, R. Rajeswarapalanichamy, K. Iyakutti

Year:

2015

Language:

english

File:

PDF, 1.40 MB

english, 2015

45

Functionalized single-walled carbon nanotube (5, 0) as a carrier for Isoniazid — A tuberculosis drug

Rajarajeswari, M., Iyakutti, K., Lakshmi, I., Rajeswarapalanichamy, R., Kawazoe, Y.

Journal:

International Journal of Computational Materials Science and Engineering

Year:

2015

Language:

english

File:

PDF, 511 KB

english, 2015

46

First Principles Study of Electronic Structure, Magnetic, and Mechanical Properties of Transition Metal Monoxides TMO(TM=Co and Ni)

Cinthia, Arumainayagam Jemmy, Rajeswarapalanichamy, Ratnavelu, Iyakutti, Kombiah

Journal:

Zeitschrift für Naturforschung A

Year:

2015

Language:

english

File:

PDF, 1.49 MB

english, 2015

47

Structural phase stability, electronic structure and mechanical properties of alkali metal hydrides AMH4 (A=Li, Na; M=B, AL)

Santhosh, M., Rajeswarapalanichamy, R.

Journal:

Journal of Physics and Chemistry of Solids

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

48

Structural, electronic, mechanical and magnetic properties of rare-earth nitrides REN (RE=Ce, Pr, Nd): A first principles study

Murugan, A., Sudha Priyanga, G., Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Materials Science in Semiconductor Processing

Year:

2016

Language:

english

File:

PDF, 3.32 MB

english, 2016

49

Structural stability, electronic, mechanical and superconducting properties of CrC and MoC

Kavitha, M., Sudha Priyanga, G., Rajeswarapalanichamy, R., Iyakutti, K.

Journal:

Materials Chemistry and Physics

Year:

2015

Language:

english

File:

PDF, 1.57 MB

english, 2015

50

AIP Conference Proceedings [Author(s) DAE SOLID STATE PHYSICS SYMPOSIUM 2015 - Uttar Pradesh, India (21–25 December 2015)] - A first principles study of structural, electronic mechanical and magnetic properties of rare earth nitride:TmN

Murugan, A., Rajeswarapalanichamy, R., Santhosh, M., Manikandan, M.

Year:

2016

Language:

english

File:

PDF, 586 KB

english, 2016

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