Pith Number

pith:JYWOG3BV

pith:2025:JYWOG3BVUVOQIENJJKMCXR53HN

1 verified not anchored not stored refs pending

Ab initio calculation of electronic band structure of Cd$_{1-x}$Fe$_x$Se

Elshad Allahyarov, Matanat A. Mehrabova, Niyazi H. Hasanov, Nurana R. Gasimova

The band gap of Cd1-xFexSe widens with increasing iron concentration and the antiferromagnetic phase is lower in energy.

arxiv:2506.17794 v1 · 2025-06-21 · cond-mat.mtrl-sci · cond-mat.soft · physics.chem-ph

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\usepackage{pith}
\pithnumber{JYWOG3BVUVOQIENJJKMCXR53HN}

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Record completeness

1 Bitcoin timestamp

2 Internet Archive

✓ Author claim 1 verified · sign in to claim

Elshad Allahyarov orcid verified

4 Citations open

5 Replications open

✓ Portable graph bundle live · download bundle · merged state

The bundle contains the canonical record plus signed events. A mirror can host it anywhere and recompute the same current state with the deterministic merge algorithm.

Claims

C1strongest claim

The band gap for Cd1-xFexSe increases with Fe concentration: Eg=1.77 eV (FM) and 1.78 eV (AFM) at x=0.06, Eg=1.92 eV at x=0.25; antiferromagnetic phase is more stable.

C2weakest assumption

The chosen Hubbard U value of 2.42 eV for Fe 3d states and the LSDA functional are assumed to be adequate for quantitative gap predictions in this alloy system.

C3one line summary

DFT+LSDA+U calculations on 8- and 64-atom supercells give band gaps of 1.77-1.78 eV at x=0.06 and 1.92 eV at x=0.25 for Cd1-xFexSe, with antiferromagnetic order lower in energy.

Formal links

2 machine-checked theorem links

Receipt and verification

First computed	2026-05-17T23:39:21.909861Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

4e2ce36c35a55d0411a94a982bc7bb3b4eb485c1d9af1c16e8898c1c514cb5e6

Aliases

arxiv: 2506.17794 · arxiv_version: 2506.17794v1 · doi: 10.48550/arxiv.2506.17794 · pith_short_12: JYWOG3BVUVOQ · pith_short_16: JYWOG3BVUVOQIENJ · pith_short_8: JYWOG3BV

Agent API

Resolver JSON Graph JSON Events JSON Schema Signing key

Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/JYWOG3BVUVOQIENJJKMCXR53HN \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: 4e2ce36c35a55d0411a94a982bc7bb3b4eb485c1d9af1c16e8898c1c514cb5e6

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "86a7014703730b2bb54d5ad026eacafbac08bce716c3662d98792b71ac8abd14",
    "cross_cats_sorted": [
      "cond-mat.soft",
      "physics.chem-ph"
    ],
    "license": "",
    "primary_cat": "cond-mat.mtrl-sci",
    "submitted_at": "2025-06-21T19:15:24Z",
    "title_canon_sha256": "ce4eb16e25686cedba40d029dcadbbb8b4d7a78b28b312ed2c7e8d208564b04f"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2506.17794",
    "kind": "arxiv",
    "version": 1
  }
}