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Article

Singh, Jaspreet and Sahoo, Sushree Sarita and V, Kanchana and et al, . (2022) High-pressure study of the aurophilic topological Dirac material AuI. Journal of Alloys and Compounds, 928. pp. 1-9. ISSN 0925-8388

Singh, Jaspreet and Sharma, Vineet Kumar and V., Kanchana and Vaitheeswaran, G. and Errandonea, D. (2021) High-pressure structural, lattice dynamics, and electronic properties of beryllium aluminate studied from first-principles theory. Materials Today Communications, 26. p. 101801. ISSN 23524928

Rambabu, P and Zollo, Giuseppe and V, Kanchana (2021) Electronic topological transitions and vibrational properties of A-15 type X3Y (X= V, Cr and Mo; Y= Os, Ir and Pt) compounds: A first-principles study. Journal of Physics and Chemistry of Solids, 152. p. 109953. ISSN 0022-3697

G, Shwetha and V, Kanchana (2019) Impurity induced cross luminescence in KMgCl3: an ab initio study. Journal of Physics Condensed Matter, 31 (11). ISSN 0953-8984

Sreeparvathy, P C and V, Kanchana (2019) Quantum fluctuation in thermopower at the topological phase transition in CaSrX (X: Si, Ge, Sn, Pb) studied from first principles theory. Journal of Physics Condensed Matter, 31 (9). ISSN 0953-8984

Kumar Sharma, Vineet and Sreeparvathy, P C and Anees, P and V, Kanchana (2019) Transport and topological properties of ThOCh(Ch: S, Se and Te) in bulk and monolayer: a first principles study. Journal of Physics: Condensed Matter, 31 (43). p. 435504. ISSN 0953-8984

P, Rambabu and V, Kanchana (2018) Electronic Topological Transitions in CuNiMnAl and CuNiMnSn under pressure from first principles study. Solid State Sciences, 80. pp. 92-100. ISSN 1293-2558

Sreeparvathy, P C and V, Kanchana and Anees, P and Vaitheeswaran, G (2018) Emergence of Strain Induced Two Dimensional Metallic State in ReS2. Journal of Solid State Chemistry. ISSN 0022-4596 (In Press)

Mondal, Sanchayita and Mazumdar, Chandan and Ranganathan, R and Alleno, Eric and Sreeparvathy, P C and V, Kanchana and Vaitheeswaran, G (2018) Ferromagnetically correlated clusters in semimetallic Ru2NbAl Heusler alloy and its thermoelectric properties. Physical Review B, 98 (20). pp. 1-11. ISSN 2469-9950

P C, Sreeparvathy and V, Kanchana (2018) Giant thermopower in 'p' type OsX2 (X: S, Se, Te) for a wide temperature range: a first principles study. Journal of Physics: Condensed Matter, 30 (29). ISSN 0953-8984

Zhang, Jurong and Sun, Ermiao and Feng, Xiaolei and Liu, Hanyu and Redfern, Simon A T and V, Kanchana and Liu, Guangtao and Wang, Hongbo (2018) Phase transition and superconductivity in ReS2, ReSe2 and ReTe2. Physical Chemistry Chemical Physics. ISSN 1463-9076

V, Rajaji and Dutta, Utpal and P C, Sreeparvathy and Sarma, Saurav Ch and Sorb, Y A and Joseph, B and Sahoo, Subodha and Peter, Sebastian C and V, Kanchana and Narayana, Chandrabhas (2018) Structural, vibrational, and electrical properties of 1T-TiTe2 under hydrostatic pressure: Experiments and theory. Physical review B, 97. pp. 1-13. ISSN 1098-0121

Reddy, P V Sreenivasa and V, Kanchana (2017) Enhanced superconductivity in SnSb under pressure: A first principles study. Journal of Physics: Condensed Matter, 29 (40). p. 405502. ISSN 0953-8984

Reddy, P V S and V, Kanchana and Millichamp, T E and Vaitheeswaran, G and Dugdale, S B (2017) Enhanced superconductivity in the high pressure phase of SnAs studied from first principles. Physica B: Condensed Matter, 505. pp. 33-40. ISSN 0921-4526

Reddy, P V S and V, Kanchana and Ruban, A V and Christensen, N E (2017) Evidence for the antiferromagnetic ground state of Zr2TiAl: a first-principles study. Journal of Physics Condensed Matter, 29 (26). p. 265801. ISSN 0953-8984

Sreeparvathy, P.C. and V, Kanchana (2017) Novel natural super-lattice materials with low thermal conductivity for thermoelectric applications: A first principles study. Journal of Physics and Chemistry of Solids, 111. pp. 54-62. ISSN 0022-3697

P, Anand Kumar and A T, Satya and Reddy, P V S and M, Sekar and V, Kanchana and G, Vaitheeswaran and Mani, A and S, Kalavathi and N V, Chandra Shekar (2017) Structural and low temperature transport properties of Fe2B and FeB systems at high pressure. Journal of Physics and Chemistry of Solids, 109. pp. 18-25. ISSN 0022-3697

Rajaji, V and Dutta, Utpal and Sreeparvathy, P C and Sarma, Saurav Ch and Sorb, Y A and Joseph, B and Sahoo, Subodha and Peter, Sebastian C and V, Kanchana and Narayana, Chandrabhas (2017) Switching of the topologically trivial and non-trivial quantum phase transitions in compressed 1T-TiTe2: Experiments and Theory. arXiv. pp. 1-22. (In Press)

G, Vaitheeswaran and V, Kanchana and Zhang, X X and Ma, Y M and Svane, A and Christensen, N E (2016) Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3. Journal of Physics Condensed Matter, 28 (31). ISSN 0953-8984

Reddy, P V S and V, Kanchana and G, Vaitheeswaran and Modak, P and Verma, A K (2016) Electronic topological transitions in Nb3X (X = Al, Ga, In, Ge, and Sn) under compression investigated by first principles calculations. Journal of Applied Physics, 119. 075901-1. ISSN 0021-8979

Reddy, P V S and V, Kanchana and G, Vaitheeswaran and Singh, D J (2016) Predicted superconductivity of Ni2VAl and pressure dependence of superconductivity in Ni2NbX (X  =  Al, Ga and Sn) and Ni2VAl. Journal of Physics Condensed Matter, 28. pp. 115703-1. ISSN 0953-8984

Gudelli, V K and V, Kanchana and G, Vaitheeswaran (2016) Predicted thermoelectric properties of olivine-type Fe(2)GeCh(4) (Ch = S, Se and Te). Journal of Physics Condensed Matter, 28 (2). 025502-1-025502-12. ISSN 0953-8984

Chandran, A K and Gudelli, V K and Sreeparvathy, P C and V, Kanchana (2016) Structural and thermoelectric properties of Zintl-phase CaLiPn (Pn=As, Sb, Bi). Journal of Solid State Chemistry, 243. pp. 198-206. ISSN 0022-4596 (In Press)

Sekar, M and Chandra Shekar, N V and Appalakondaiah, S and Shwetha, G and Vaitheeswaran, G and V, Kanchana (2016) Structural stability of ultra-incompressible Mo2B: A combined experimental and theoretical study. Journal of Alloys and Compounds, 654. pp. 554-560. ISSN 0925-8388

Sreeparvathy, P C and V, Kanchana and G, Vaitheeswaran (2016) Thermoelectric properties of zinc based pnictide semiconductors. Journal of Applied Physics, 119 (085701). pp. 1-8. ISSN 0021-8979

Sreeparvathy, P C and V, Kanchana and Vaitheeswaran, G and Christensen, N E (2016) ZnGeSb2: a promising thermoelectric material with tunable ultra-high conductivity. Physical Chemistry Chemical Physics, 18 (37). pp. 26275-26283. ISSN 1463-9076

G, Swetha and V, Kanchana and N, Yedukondalu and G, Vaitheeswaran (2015) Ab initio study of scintillating lanthanide oxyhalide host materials. Materials Research Express, 2 (10). ISSN 2053-1591

G, Shwetha and V, Kanchana and G, Vaitheeswaran (2015) CsMgCl3: A promising cross luminescence material. Journal of Solid State Chemistry, 227. pp. 110-116. ISSN 0022-4596

Gudelli, V K and V, Kanchana and G, Vaitheeswaran (2015) CuAlTe2: A promising bulk thermoelectric material. Journal of Alloys and Compounds, 648. pp. 958-965. ISSN 0925-8388

Kumar, R S and Svane, A and Vaitheeswaran, G and V, Kanchana and Antonio, D and Cornelius, A L and Bauer, E D and Xiao, Y and Chow, P (2015) Effect of pressure on valence and structural properties of YbFe2Ge2 heavy fermion compound-A combined inelastic X-ray spectroscopy, X-ray diffraction, and theoretical investigation. Inorganic Chemistry, 54 (21). pp. 10250-10255. ISSN 0020-1669

Reddy, P V S and V, Kanchana (2015) Electronic and mechanical properties of Zr2TiAlZr2TiAl : A first principles study. AIP Conference Proceedings, 1591. ISSN 0094-243X

Gudelli, V K and V, Kanchana (2015) Electronic structure, transport, and phonons of SrAgChF (Ch = S, Se, Te): Bulk superlattice thermoelectrics. Physical Review B, 92 (045206). pp. 1-8. ISSN 1098-0121

M, Sekar and N V, Chandra Shekar and R, Babu and Sahu, P Ch and Sinha, A K and Upadhyay, A and Singh, M N and K, Ramesh Babu and S, Appalakondaiah and Vaitheeswaran, G and V, Kanchana (2015) High pressure structural behavior of YGa2: A combined experimental and theoretical study. Journal of Solid State Chemistry, 226. pp. 11-16. ISSN 0022-4596

G, Shwetha and V, Kanchana and G, Vaitheeswaran (2015) Optical properties of orthovanadates, and periodates studied from first principles theory. Materials Chemistry and Physics, 163. pp. 376-386. ISSN 0254-0584

G, Shwetha and G, Vaitheeswaran and V, Kanchana (2015) Optically isotropy in scintillator host compounds M2LaCl5 (M=Rb, and Cs): Ab-initio study. AIP Conference Proceedings, 1665. ISSN 0094-243X

Gudelli, V K and Vaitheeswaran, G and V, Kanchana (2015) Thermoelectric properties of CuAlCh 2 (Ch = S, Se and Te). AIP Conference Proceedings, 1665. ISSN 0094-243X

P C, Sreeparvathy and Gudelli, V K and V, Kanchana and G, Vaitheeswaran and A, Svane and E, Christensen (2015) Thermoelectric properties of binary LnN (Ln=La and Lu): First principles study. AIP Conference Proceedings, 1665. ISSN 0094-243X

G, Swetha and V, Kanchana and M C, Valsakumar (2014) Excitonic Effects in Oxyhalide Scintillating Host Compounds. Journal of Applied Physics, 116 (13). pp. 1-10. ISSN 0021-8979

V, Kanchana and Vaitheeswaran, G and Svane, A and Heathman, S and Gerward, L and Staun Olsen, J (2014) High-pressure study of binary thorium compounds from first principles theory and comparisons with experiment. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 70 (03). pp. 459-468. ISSN 2052-5192

Ram, S and V, Kanchana (2014) Lattice dynamics and superconducting properties of antiperovskite La 3InZ (Z=N,O). Solid State Communications, 181. pp. 54-59. ISSN 0038-1098

Shwetha, G and V, Kanchana and Ramesh Babu, K and Vaitheeswaran, G and Valsakumar, M C (2014) High-pressure structural stability and optical properties of scheelite-type ZrGeO4 and HfGeO4 X-ray phosphor hosts. Journal of Physical Chemistry C, 118 (8). pp. 4325-4333. ISSN 1932-7447

Kumar, R S and Zhang, Y and Thamizhavel, A and Svane, A and Vaitheeswaran, G and V, Kanchana and Xiao, Y and Chow, P and Chen, C and Zhao, Y (2014) Pressure induced valence change of Eu in EuFe2As2 at low temperature and high pressures probed by resonant inelastic x-ray scattering. Applied Physics Letters, 104 (4). ISSN 0003-6951

Srinivasa Reddy, P V and V, Kanchana (2014) Ab initio study of Fermi surface and dynamical properties of Ni 2XAl (X = Ti, V, Zr, Nb, Hf and Ta). Journal of Alloys and Compounds, 616. pp. 527-534. ISSN 0925-8388

G, Shwetha and V, Kanchana (2014) Optical Properties of Halide and Oxide Compounds Including the Excitonic Effects. AIP Conference Proceedings, 1591. pp. 1485-1487. ISSN 0094-243X

Petit, L and Svane, A and Luders, M and Szotek, Z and Vaitheeswaran, G and V, Kanchana and Temmerman, W M (2014) Phase transitions in rare earth tellurides under pressure. Journal of Physics Condensed Matter, 26 (27). ISSN 0953-8984

Ram, S and V, Kanchana and Valsakumar, M C (2014) Skutterudites under pressure: An ab initio study. Journal of Applied Physics, 115 (9). ISSN 0021-8979

Gudelli, V K and V, Kanchana and G, Vaitheeswaran and M C, Valsakumar and Mahanti, S D (2014) Thermoelectric properties of marcasite and pyrite FeX2 (X = Se, Te): A first principle study. RSC Advances, 4. pp. 9424-9431. ISSN 2046-2069

V, Kanchana and Yedukondalu, N and Vaitheeswaran, G (2013) Structural, elastic, electronic and optical properties of layered alkaline-earth halofluoride scintillators. Philosophical Magazine Letters, 93 (26). pp. 3563-3575. ISSN 0950-0839

Ram, S and V, Kanchana and Svane, A and Dugdale, S B and Christensen, N E (2013) Fermi surface properties of AB3 (A = Y, La; B = Pb, In, Tl) intermetallic compounds under pressure. Journal of Physics Condensed Matter, 25 (15). ISSN 0953-8984

Waskowska, A and Gerward, L and Staun Olsen, J and Svane, A and Vaitheeswaran, G and V, Kanchana (2013) High-pressure structural behaviour of Cu0.5Fe 0.05Cr2S4: An experimental and theoretical study. Journal of Alloys and Compounds, 578. pp. 202-207. ISSN 0925-8388

Adhikary, G and Biswas, D and Sahadev, N and Ram, S and V, Kanchana and Yadav, C S and Paulose, P L and Maiti, K (2013) Importance of ligands in the electronic properties of FeTe 0.6Se0.4. Journal of Applied Physics, 114 (16). ISSN 0021-8979

Gudelli, V K and V, Kanchana and Appalakondaiah, S and Vaitheeswaran, G and Valsakumar, M C (2013) Phase stability and thermoelectric properties of the mineral FeS 2: An Ab initio study. Journal of Physical Chemistry C, 117 (41). pp. 2120-2131. ISSN 1932-7447

Kumar, R S and Svane, A and Vaitheeswaran, G and Zhang, Y and V, Kanchana and Hofmann, M and Campbell, S J and Xiao, Y and Chow, P and Chen, C and Zhao, Y and Cornelius, A L (2013) Pressure-Induced Valence and Structural Changes in Ybmn2ge 2-Inelastic X-Ray Spectroscopy and Theoretical Investigations. Inorganic Chemistry, 52 (2). pp. 832-839. ISSN 0020-1669

Gudelli, V K and V, Kanchana and Vaitheeswaran, G and Svane, A and Christensen, N E (2013) Thermoelectric properties of chalcopyrite type CuGaTe2 and chalcostibite CuSbS2. Journal of Applied Physics, 114 (22). ISSN 0021-8979

Subbarao, U and Sarkar, S and Gudelli, V K and V, Kanchana and Vaitheeswaran, G and Peter, S C (2013) Yb5Ga2Sb6: A mixed valent and narrow-band gap material in the RE5M2X6 family. Inorganic Chemistry, 52 (23). pp. 13631-13638. ISSN 0020-1669

V, Kanchana and Ram, S (2012) Electronic structure and mechanical properties of Sc 3AC (A = Al, Ga, In, Tl) and Sc 3BN(B = Al, In): Ab-initio study. Intermetallics, 23. pp. 39-48. ISSN 0966-9795

Vaitheeswaran, G and V, Kanchana and Zhang, X and Ma, Y and Svane, A and Kaul, S N (2012) Lattice instability and martensitic transformation in LaAg predicted from first-principles theory. Journal of Physics Condensed Matter, 24 (7). ISSN 0953-8984

Olsen, J S and Jorgensen, J E and Gerward, L and Vaitheeswaran, G and V, Kanchana and Svane, A (2012) Compressibility and structural stability of CeN from experiment and theory. the B1-B2 transition. Journal of Alloys and Compounds, 533. pp. 29-32. ISSN 0925-8388

Ram, S and V, Kanchana and Vaitheeswaran, G and Svane, A and Dugdale, S B and Christensen, N E (2012) Electronic topological transition in LaSn 3 under pressure. Physical Review B, 85 (17). ISSN 1098-0121

Shwetha, G and V, Kanchana (2012) Optical isotropy in structurally anisotropic halide scintillators: Ab initio study. Physical Review B, 86 (11). ISSN 1098-0121

Ram, S and Chauhan, M R and Agarwal, K and V, Kanchana (2011) Ab initio study of Heusler alloys Co2XY (X = Cr, Mn, Fe; Y = Al, Ga) under high pressure. Philosophical Magazine Letters, 91 (8). pp. 545-556. ISSN 0950-0839

Yedukondalu, N and Babu, K R and Bheemalingam, C and Singh, D J and Vaitheeswaran, G and V, Kanchana (2011) Electronic structure, optical properties, and bonding in alkaline-earth halofluoride scintillators: BaClF, BaBrF, and BaIF. Physical Review B, 83 (16). pp. 1-7. ISSN 1098-0121

Vaitheeswaran, G and V, Kanchana and Svane, A and Christensen, N E and Olsen, J S and Jorgensen, J E (2011) High-pressure structural study of yttrium monochalcogenides from experiment and theory. Physical Review B, 83 (18). pp. 1-8. ISSN 1098-0121

V, Kanchana and G, Vaitheeswaran and Zhang, X and Ma, Y and Svane, A and Eriksson, O (2011) Lattice dynamics and elastic properties of the 4f electron system: CeN. Physical Review B, 84 (20). pp. 1-7. ISSN 1098-0121

Waskowska, A and Gerward, L and Olsen, J S and K, Ramesh Babu and Vaitheeswaran, G and V, Kanchana and Svane, A and Filipov, V B and Levchenko, G and Lyaschenko, A (2011) Thermoelastic properties of ScB2, TiB2, YB4 and HoB4: Experimental and theoretical studies. Acta Materialia, 59 (12). pp. 4886-4864. ISSN 1359-6454

V, Kanchana and Vaitheeswaran, G and Souvatzis, P and Eriksson, O and Lebegue, S (2010) Density functional study of the electronic structure and lattice dynamics of SrCl2. Journal of Physics Condensed Matter, 22 (44). pp. 1-7. ISSN 0953-8984

Conference or Workshop Item

Reddy, P V S and Vaitheeswaran, G and V, Kanchana (2015) Fermi surface study of ScAu2(Al, In) and ScPd2(Sn, Pb) compounds. In: SOLID STATE PHYSICS: Proceedings of the 59th DAE Solid State Physics Symposium, 16–20 December 2014, Tamilnadu, India.

V, Kanchana and N, Yedukondalu and G, Vaitheeswaran (2015) Lattice dynamics and electronic structure of mixed halofluoride scintillators under high pressure. In: SOLID STATE PHYSICS: Proceedings of the 59th DAE Solid State Physics Symposium, 16–20 December 2014, Tamilnadu, India.

Gudelli, V K and V, Kanchana (2014) Elastic Constants and Fermi Surface Topology Change in Calaverite Aute 2: A Density Functional Study. In: AIP Conference Proceedings, 17-21, December 2013, Patiala, Punjab; India.

Reddy, P V S and V, Kanchana (2014) Electronic and Mechanical Properties of Zr2TiAl: A First Principles Study. In: AIP Conference Proceedings, 17-21, December 2013, Patiala, Punjab; India.

Ram, S and V, Kanchana (2013) Fermi Surface Studies of Co-Based Heusler Alloys: Ab-Initio Study. In: 57th DAE Solid State Physics Symposium 2012; Bombay, 3-7, December 2012, Mumbai; India.

Thesis

P C, Sreeparvathy and V, Kanchana (2019) First Principles Investigation of Thermoelectric Materials. PhD thesis, Indian institute of technology Hyderabad.

Reddy, P V S and V, Kanchana (2018) Electronic structure and Fermi surface topology of binary and ternary compounds. PhD thesis, Indian Institute of Technology Hyderabad.

Roy, Kelvin and V, Kanchana (2018) Thermoelectric Properties of KZnX (X: P, As, Sb): A First Principles Study. Masters thesis, Indian Institute of Technology Hyderabad.

Chandran, Anoop K and V, Kanchana (2016) Structural and thermoelectric properties of Zintl-phase CaLiPn (Pn: As, Sb, Bi). Masters thesis, Indian Institute of Technology Hyderabad.

Gudeli, Vijay Kumar and V, Kanchana (2016) Thermoelectric Properties of Chalcogenides: An Ab-initio Study. PhD thesis, Indian institute of technology Hyderabad.

Das, Asim and V, Kanchana (2014) Understanding Thermoelectric Properties from Density Functional Theory. Masters thesis, Indian Institute of Technology, Hyderabad.

Chawla, Mukesh and V, Kanchana (2013) Electronic, Magnetic And Fermi Surface Properties Of Cu2MnX ( X=Al, In, Sn): Ab-Initio Study. Masters thesis, Indian Institute of Technology Hyderabad.