j=1/2 spin-orbit charge profile
Correlated wavefunction calculation
Multi-reference calculations on clusters
Edge sharing octahedra in Na2IrO3
Layered structure of Sr2IrO4

Vamshi Mohan Katukuri

I am a graduate student at TU Dresden, pursuing research at the Institute of Theoretical Solid State Physics with Liviu Hozoi, under the guidance of Jeroen van den Brink. I work in the field of computational condensed matter physics. Currently I am interested in understanding the electronic structure and magnetic interactions in transition metal oxide compounds employing wavefunction based quantum chemistry techniques. 

Research interests

  • Electronic structure of:
  • Strongly correlated transition metal oxides
  • Spin-orbit coupled Mott insulators
  • Topological insulators
  • Methods:
  • Wavefunction based many-body techniques
  • Quantum Monte Carlo
  • Exact diagonalization

Iridium Oxides

Iridium oxide compounds have attracted the interest of strongly correlated material physicists with the proposal of a spin-orbit coupled Mott insulating phenomena that explains the observed the electrical resistivity of 2D layered perovskite Sr2IrO4 (Sr214). Although it was synthesised in the early 1990s, it was only in 2008 that a combination of resonant x-ray scattering and electronic structure calculations was able to explain the splitting of the valence band into an upper and lower Hubbard band. In this class of d5 (Ir4+) materials, the interplay of crystal field potential, spin and orbital interactions and electron correlations gives rise to a pseudo-spin j=1/2 ground state. This ground state leads to very anisotropic magnetic interactions, producing novel ground states like spin liquids, topological states etc. 


Google scholar citations


10) S. Nishimoto, V. M. Katukuri, V. Yushankhai, H. Stoll, U. K. Roessler, L. Hozoi, I. Rousochatzakis and Jeroen van den Brink: Strongly frustrated triangular spin lattice emerging from triplet dimer formation in honeycomb Li2IrO3; submitted to Nat. Comm., Preprint: ArXiv:1403.6698 (2014)

peer reviewed journals

9) Vamshi. M. Katukuri, Viktor Yushankhai, Liudmila Siurakshina, Jeroen van den Brink, Liviu Hozoi and Ioannis Rousochatzakis: Mechanism of Basal-Plane Antiferromagnetism in the Spin-Orbit Driven Iridate Ba2IrO4; Phys. Rev. X 4, 021051 (2014)

8) Vamshi M. Katukuri, K. Roszeitis, V. Yushankhai, A. Mitrushchenkov,  H. Stoll, M. van Veenendaal, P. Fulde, Jeroen van den Brink, and L. Hozoi:Electronic structure of low-dimensional 4d5 oxides: interplay of ligand distortions, overall lattice anisotropy, and spin-orbit interactionsInorg. Chem 53(10) 4833 (2014).

7) A. Lupascu, J. Clancy, H. Gretarsson, Zixin Nie, J. Nichols, J. Terzic, G. Cao, S. S. A. Seo, Z. Islam, M. Upton, Jungho Kim, D. Casa, T. Gog, A. Said, Vamshi M. Katukuri, H. Stoll, L. Hozoi, J. van den Brink and Young-June Kim: Tuning Magnetic Coupling in Sr2IrO4 Thin Films with Epitaxial StrainPhysical Review Letters 112, 147201 (2014).

6) Vamshi M. Katukuri, S. Nishimoto, V. Yushankhai, A. Stoyanova, H. Kandpal, Sungkyun Choi, R Coldea, I. Rousochatzakis, L. Hozoi, Jeroen van den Brink: Kitaev interactions between j=1/2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations, New J. Phys. 16 (2014) 013056

5) H. Gretarsson, J.P. Clancy, X. Liu, J.P. Hill, E. Bozin, Y. Singh, S. Manni, P. Gegenwart, J. Kim, A.H. Said, D. Casa, T. Gog, M.H. Upton, H.-S. Kim, J. Yu, Vamshi M. Katukuri, L. Hozoi, J. van den Brink, Y-J. Kim: Crystal-field splitting and correlation effect on the electronic structure of A2IrO3, Physical Review Letters 110  076402 (2013) 

4) N.A. Bogdanov, Vamshi M. Katukuri, H. Stoll, J. van den Brink, L. Hozoi: Post-perovskite CaIrO3: A j=1/2 quasi-one-dimensional antiferromagnet, Physical Review B 85, 235147 (2012)

3) Vamshi M. Katukuri, H. Stoll, J. van den Brink, L. Hozoi: Ab initio determination of excitation energies and magnetic couplings in correlated quasi-two-dimensional iridates, Physical Review B 85 220402 (2012)

2) X. Liu, Vamshi M. Katukuri, L. Hozoi, W.-G. Yin, M.P.M. Dean, M.H. Upton, J. Kim, D. Casa, A. Said, T. Gog, T.F. Qi, G. Cao, A.M. Tsvelik, J. van den Brink, J.P. Hill: Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6, Physical Review Letters 109 157401 (2012)

1) B. Himmetoglu, Vamshi M. Katukuri, M. Cococcioni:  Origin of magnetic interactions and their influence on the structural properties of Ni2MnGa and related compoundsJournal of Physics: Condensed Matter 24 (18), 185501 (2012)