20.500.12556/RUL-177294 Delicate competition between different excitonic orderings in Ta$_2$NiSe$_5$ We investigate the energetics of the quasi-one-dimensional layered compound Ta$_2$NiSe$_5$ in the excitonic phase within the six-band model using Hartree–Fock calculations. We calculate energies of states with different kinds of excitonic order and show that they differ by less than meV and depend sensitively on precise values of interchain hopping matrix elements. condensed matter physics semiconductors 2D materials excitonic fluctuations structural instabilities electron correlations DFT calculations mean-field theory fizika kondenzirane snovi polprevodniki 2D materiali true false true Angleški jezik Slovenski jezik Članek v reviji 2025-12-19 14:29:53 2025-12-19 14:29:54 2025-12-29 04:18:01 0000-00-00 00:00:00 2025 0 0 10 str. iss. 5, art. no. 414 Vol. 15 Apr. 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 538.9 2073-4352 10.3390/cryst15050414 262345219 crystals-15-00414-v3.pdf crystals-15-00414-v3.pdf 1 13D15DA0F7FD3B3FCBDB3369AF1B7BE1 a17f4cf0dfbd0b35b5178b8390901a33926428fa7a46cbe9d0bb6d474d0400da a4ff19d4-dcde-11f0-9328-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=224255 https://www.mdpi.com/2073-4352/15/5/414 0 ab9efc32-dcde-11f0-9328-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=224256 Fakulteta za matematiko in fiziko 0 0 0