Cluster dynamical mean field study of intra-unit-cell charge nematicity in hole-doped cuprates
Bibliographic record
Abstract
Recent scanning-tunneling microscopy on hole-doped Bi$_2$Sr$_2$CaCu$_2$O$_8$, one of the materials of the cuprate family, finds a long-range ordered spontaneous splitting of the energy levels of oxygen orbitals inside the CuO$_2$ unit cells [S. Wang et al., Nat. Mat. 23, 492-498 (2024)]. This spontaneous intra-unit-cell orbital ordering, also known as electronic nematicity, breaks $C_4$ symmetry and is thought to arise from the Coulomb interaction (denoted by $V_{pp}$) between oxygen $p_x$ and $p_y$ electrons. In this work, we study the spontaneous emergence of electronic nematicity within the three-band Hubbard (aka the Emery-VSA model), using cluster dynamical mean field theory. This method incorporates short-range electronic correlations and gives us access to the density of states, a quantity that is directly probed in experiments. We argue that there is a delicate competition between $V_{pp}$ and $V_{pd}$ (the latter being the Coulomb interaction between copper $d_{x^2-y^2}$ and oxygen $p_{x,y}$ electrons) that must be taken into account in order to find a Zhang-Rice singlet band well-resolved from the upper Hubbard band, and a splitting of the charge-transfer band (one of the signatures of charge nematicity) by roughly 50 meV, as observed recently.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.004 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".