vasp怎样计算二维材料kz方向色散

{"type":"doc","content":[{"type":"heading","attrs":{"id":"d532df12-8443-431a-9a6c-1315fd2d2edd","textAlign":"inherit","indent":0,"level":1,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"vasp计算二维磁性材料（在kz方向有厚度的），通过什么vasp计算方法有可能计算出沿kz方向的色散？"}]},{"type":"paragraph","attrs":{"id":"f259d7ed-0531-4333-9098-3e547033c380","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"vasp计算二维磁性材料，在kz方向有厚度的，是体相切的薄层，通过什么vasp计算方法有可能计算出沿kz方向的色散？可以显示体相在kz方向的性质？因为实验上可以判断，计算上不知道可以有方法判断吗？"}]},{"type":"paragraph","attrs":{"id":"bc809204-f255-4db5-8f05-21c966018f11","textAlign":"justify","indent":0,"color":null,"background":null,"isHoverDragHandle":false}},{"type":"paragraph","attrs":{"id":"04566a70-d87c-4b9d-8139-d4ec1ef2b1f4","textAlign":"justify","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"问题链接：https://www.zhihu.com/question/1903940826687582989"}]},{"type":"paragraph","attrs":{"id":"6951ea54-4217-4f47-b390-d8490baeffba","textAlign":"justify","indent":0,"color":null,"background":null,"isHoverDragHandle":false}},{"type":"paragraph","attrs":{"id":"a9e05012-6a1f-421c-a84c-29e58ea7ee89","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"这个问题其实非常典型，很多刚接触二维材料和 VASP 的同学都会混淆“二维体系”“薄层体系”“体相 kz 色散”“ARPES 中的 kz 分辨”这些概念。"}]},{"type":"paragraph","attrs":{"id":"b6dd69f6-0232-4b5e-b01e-0081351c040e","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}},{"type":"bold"}],"text":"如果你的 VASP 模型是真正的二维 slab（即 c 方向加入了大真空层），那么严格来说是不存在真正 kz 色散的。"}]},{"type":"paragraph","attrs":{"id":"75864ac6-d5b2-4b85-a113-0b528f8b6517","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"因为："}]},{"type":"bulletList","attrs":{"id":"c350ae5a-06f6-4edc-bc3c-841d0f589a4b","isHoverDragHandle":false},"content":[{"type":"listItem","attrs":{"id":"f21dc9c1-8527-4a19-b66d-33d79542f13f"},"content":[{"type":"paragraph","attrs":{"id":"a84f323c-abea-4da9-92ea-ab317e1952a3","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"在 VASP 中加入真空后，"}]}]},{"type":"listItem","attrs":{"id":"cd2c6345-ee27-4fce-9455-0466752454da"},"content":[{"type":"paragraph","attrs":{"id":"35efaaaf-e2cd-418f-bb19-cca1f4bc118b","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"周期性在 z 方向实际上被人为切断，"}]}]},{"type":"listItem","attrs":{"id":"1e8c5dd6-ca7d-4c92-be1e-a3313d28b839"},"content":[{"type":"paragraph","attrs":{"id":"2183a99d-7289-4cea-8164-c55295e0d1aa","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"Bloch 波矢 (k_z) 不再对应真实晶体中的传播自由度，"}]}]},{"type":"listItem","attrs":{"id":"b5726871-121b-4412-9abc-9d9c132a529d"},"content":[{"type":"paragraph","attrs":{"id":"3d024135-a528-4f00-9150-f134982af5e5","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"因此能带不会具有真正的连续 kz 色散。"}]}]}]},{"type":"paragraph","attrs":{"id":"5f7970e2-678f-4d12-8f0f-03b2edcfc198","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"很多初学者会误以为："}]},{"type":"blockquote","attrs":{"id":"dbbe9d4d-6322-44d7-ba7c-41efbfe76d0e","textAlign":"inherit","isHoverDragHandle":false},"content":[{"type":"paragraph","attrs":{"id":"189738b7-e666-4167-9f92-e3420c90886b","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"“结构在 z 方向还有厚度，所以应该还能有 kz 色散”"}]}]},{"type":"paragraph","attrs":{"id":"b2780b36-9a32-4a4d-adfe-b9a1c1d6ea63","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"但这里需要区分："}]},{"type":"heading","attrs":{"id":"ac8b846f-99da-4287-8907-91f265571d42","textAlign":"inherit","indent":0,"level":2,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"一、“有厚度” ≠ “具有 kz 周期性”"}]},{"type":"paragraph","attrs":{"id":"b099b27a-b107-4467-bd4e-68a4f8827989","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"例如："}]},{"type":"bulletList","attrs":{"id":"0a1fd4df-78f1-433a-bc92-006b38626bfa","isHoverDragHandle":false},"content":[{"type":"listItem","attrs":{"id":"0d6cd0f5-2f3f-493f-ab4b-0706ad475414"},"content":[{"type":"paragraph","attrs":{"id":"bf15051c-6ae0-4aac-93a7-d91513be8b59","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"单层 Fe3GeTe2"}]}]},{"type":"listItem","attrs":{"id":"a69c6e7b-42fd-4f26-a652-67a13a243292"},"content":[{"type":"paragraph","attrs":{"id":"b409e7d5-4a5e-45ed-a0f5-e70b91e62419","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"几层 CrI3"}]}]},{"type":"listItem","attrs":{"id":"46d1f7c7-b920-41ce-9209-8effa7f707e2"},"content":[{"type":"paragraph","attrs":{"id":"d227a2f8-463a-4b6c-ab63-2456a0c6c7df","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"从体相切出来的 NbSe2 slab"}]}]}]},{"type":"paragraph","attrs":{"id":"cc317d89-02e9-4176-8b86-fa367ee568a8","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"虽然它们在 z 方向有实际原子厚度，"}]},{"type":"paragraph","attrs":{"id":"21452c96-2f92-487a-9acc-9dd32157aae7","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"但是："}]},{"type":"paragraph","attrs":{"id":"44fd7425-45b9-478e-9e7d-0bdf12cd8d5a","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"只要模型中加入了真空层（vacuum），"},{"type":"hardBreak","attrs":{"id":"cb73293b-1d0d-4a61-948a-87c0bd869aa3"}},{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"体系就已经不再是一个真正的三维周期晶体。也不存在严格意义上的 (E(kz)) 色散。"}]},{"type":"paragraph","attrs":{"id":"90c4b006-9aa6-4ad1-9022-e4e1c61a1f66","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"你在 VASP 里即使设置："}]},{"type":"codeBlock","attrs":{"id":"0e9ed984-c952-4aeb-939c-44bf49c1b54f","language":"javascript","theme":"atom-one-dark","runtimes":0,"isHoverDragHandle":false,"key":"","languageByAi":"javascript"},"content":[{"type":"text","text":"KPOINTSn0nGamman1 1 20"}]},{"type":"paragraph","attrs":{"id":"67e0b9c4-f76c-4f8c-bad3-476d9493fadc","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"看到的也只是："}]},{"type":"bulletList","attrs":{"id":"ac65b761-4a2f-44e9-a2c6-d71a0ecc3cf3","isHoverDragHandle":false},"content":[{"type":"listItem","attrs":{"id":"cc450c5b-d047-4e7f-89a3-f74ed8ef6eb6"},"content":[{"type":"paragraph","attrs":{"id":"3443ddfa-20b6-4236-8281-e00cebf5a144","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"数值上的重复采样，"}]}]},{"type":"listItem","attrs":{"id":"ef0ccb3f-1344-4cbf-a77b-2681aa199f5b"},"content":[{"type":"paragraph","attrs":{"id":"cfeaf4a1-115d-4447-87ca-ba3b7ab7107a","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"而不是真实物理 kz 色散。"}]}]}]},{"type":"paragraph","attrs":{"id":"ffc61299-d9fc-460b-bbdc-caa7de647789","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"因为真空区域没有电子态传播。"}]},{"type":"paragraph","attrs":{"id":"9a15db24-04fb-4353-9c13-29186355aa23","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"k-path:"}]},{"type":"codeBlock","attrs":{"id":"101d1ce5-2d26-49d5-b72a-44f73dd316d4","language":"javascript","theme":"atom-one-dark","runtimes":0,"isHoverDragHandle":false,"key":"","languageByAi":"javascript"},"content":[{"type":"text","text":"Γ-ZnA-LnM-K"}]},{"type":"paragraph","attrs":{"id":"b70e6441-b11e-4571-9145-123d102d9311","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"这时："},{"type":"hardBreak","attrs":{"id":"53f0e3b5-baae-4321-9f3a-20e3a5bb6a02"}},{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"E=E(k_x,k_y,k_z)"}]},{"type":"paragraph","attrs":{"id":"c745755e-45ca-4bad-95f1-99b10e009cda","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"中的 (k_z) 才是真实存在的。"}]},{"type":"heading","attrs":{"id":"dea86aeb-3ded-4d50-a96e-41fb7ad38536","textAlign":"inherit","indent":0,"level":2,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"VASP 中如何“间接体现 kz 信息”"}]},{"type":"paragraph","attrs":{"id":"18ad23d3-b800-4786-8c61-6cdd5be96d08","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"对于 slab 体系，常见做法有："}]},{"type":"heading","attrs":{"id":"5e951bbe-549c-4aad-baee-acfbd87a8855","textAlign":"inherit","indent":0,"level":2,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"方法 1：对比不同厚度 slab"}]},{"type":"paragraph","attrs":{"id":"f22ddd27-f362-4b72-aefe-3968a20a7243","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"例如："}]},{"type":"bulletList","attrs":{"id":"1b4b77d8-2a3b-4d50-9c81-390a797a690b","isHoverDragHandle":false},"content":[{"type":"listItem","attrs":{"id":"9444424c-cc1a-411c-95b1-3884365d3d06"},"content":[{"type":"paragraph","attrs":{"id":"e6c187ae-1aa7-4a65-b3c1-44e01c7da097","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"1 layer"}]}]},{"type":"listItem","attrs":{"id":"2e6e6d80-2851-49a9-a01b-733785985a32"},"content":[{"type":"paragraph","attrs":{"id":"800e6a4d-2ad5-48a3-8e49-a129cdc2e355","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"3 layer"}]}]},{"type":"listItem","attrs":{"id":"529e67af-9e19-48d2-9bc4-45055b73cc55"},"content":[{"type":"paragraph","attrs":{"id":"7f141574-58f1-4302-b510-c2229c473810","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"5 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bulk kz 色散。"}]}]}]},{"type":"paragraph","attrs":{"id":"721e5009-0a67-44a3-8930-d121152ac7b9","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"这是最标准的方法。"}]},{"type":"heading","attrs":{"id":"ea198b3f-3c02-47d1-bb33-eb14d7b839c7","textAlign":"inherit","indent":0,"level":2,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"方法 2：同时计算 bulk 和 slab"}]},{"type":"paragraph","attrs":{"id":"b0d52289-d0bb-42a7-bf98-5070bb8befe5","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"这是最推荐的方法。"}]},{"type":"paragraph","attrs":{"id":"5a1920d7-f8c2-46cf-93fc-6f10c5e85b29","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"步骤："}]},{"type":"paragraph","attrs":{"id":"69fa3b34-4dd5-46f0-8408-d2722ab7fd3d","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"bulk 计算得到：E(k_x,k_y,k_z)"},{"type":"hardBreak","attrs":{"id":"c7e0e93b-d329-4432-87ec-763491913c56"}},{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"特别关注："}]},{"type":"bulletList","attrs":{"id":"91ad956d-fa35-4304-94fd-65ec0a062d72","isHoverDragHandle":false},"content":[{"type":"listItem","attrs":{"id":"d0e01056-47bd-4956-8bfb-daa07963f885"},"content":[{"type":"paragraph","attrs":{"id":"0db8917f-4deb-4330-ae3e-dab0bcec5b04","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"Γ-Z"}]}]},{"type":"listItem","attrs":{"id":"8a0a1553-46a3-4f1e-b723-a7c128724516"},"content":[{"type":"paragraph","attrs":{"id":"123f62c0-9d9e-40a1-bc75-7c7caf03c5bc","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"A-L"}]}]},{"type":"listItem","attrs":{"id":"fbd5b2bc-902f-4011-9d6b-0394887fa55c"},"content":[{"type":"paragraph","attrs":{"id":"9bb8890f-3e32-450f-b657-175e1236e378","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"K-H"}]}]}]},{"type":"paragraph","attrs":{"id":"90fe8969-9ab8-4842-b3a8-3af51864d573","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"等 kz 路径。"}]},{"type":"paragraph","attrs":{"id":"464d5bb0-e6af-4012-9154-8f6774b9c25f","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false}},{"type":"paragraph","attrs":{"id":"0bb62c18-7d3e-4672-a919-f1c75f1d0523","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false}},{"type":"heading","attrs":{"id":"fde2e3cd-769a-4b79-ada3-4491f46f4ce1","textAlign":"inherit","indent":0,"level":3,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"（2）slab 计算得到："}]},{"type":"bulletList","attrs":{"id":"3119e1bd-4a84-4f57-95b9-d3dd049dd805","isHoverDragHandle":false},"content":[{"type":"listItem","attrs":{"id":"ba401d51-34b9-436d-ab59-c0c9b59a4fa5"},"content":[{"type":"paragraph","attrs":{"id":"5181b556-66ee-48a6-a7c3-c85cc30ab810","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"表面态"}]}]},{"type":"listItem","attrs":{"id":"67e24264-bb15-442e-9907-422f400d3ffb"},"content":[{"type":"paragraph","attrs":{"id":"2bf17408-c005-480b-8ff0-57a5aabea70a","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"有限厚度子带"}]}]},{"type":"listItem","attrs":{"id":"4ca2d461-fa97-4f8a-ae53-63f56a3351ac"},"content":[{"type":"paragraph","attrs":{"id":"5c8a5ca9-daa4-4455-b922-74f73d59daf4","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"磁性重构"}]}]}]},{"type":"paragraph","attrs":{"id":"0ec4d136-a3f4-4599-9717-21eb1099e569","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"然后比较："}]},{"type":"bulletList","attrs":{"id":"856a1bed-6cf3-43cd-ae56-b2ddfd99a2f0","isHoverDragHandle":false},"content":[{"type":"listItem","attrs":{"id":"dc023f55-1221-48f8-a747-16b437aea064"},"content":[{"type":"paragraph","attrs":{"id":"e7543b7d-9d1f-41fb-b2dc-4336650fcd6c","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"slab 子带是否来源于 bulk kz band folding；"}]}]},{"type":"listItem","attrs":{"id":"a95969b3-a600-46c1-a090-0373cbb555a7"},"content":[{"type":"paragraph","attrs":{"id":"810c1114-6ae7-43fb-ae28-83773cd43ea1","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"某些态是否是 surface-localized；"}]}]},{"type":"listItem","attrs":{"id":"d5e443aa-301c-49c7-a05d-ac8e2674d0c4"},"content":[{"type":"paragraph","attrs":{"id":"fc3251c3-475e-4e63-a7fa-f235e2687373","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"是否存在 surface Dirac cone；"}]}]},{"type":"listItem","attrs":{"id":"10584379-75f0-4e3a-8c83-52e2279926c4"},"content":[{"type":"paragraph","attrs":{"id":"b1c57107-ae03-487b-8391-2c8bae718ce1","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"是否有层间 AFM 导致的 kz 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分辨为什么还能看到？"}]},{"type":"paragraph","attrs":{"id":"c4402537-674f-4580-9109-dc50a950f365","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"这是很多人最困惑的地方。"}]},{"type":"paragraph","attrs":{"id":"1896db14-8921-41fc-ac1d-79e152fd31c6","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"ARPES 中的 kz 并不是直接测量得到的。"}]},{"type":"paragraph","attrs":{"id":"fe23ad2c-edd3-49d3-ba10-d3bf5b46c41d","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"实验中的："}]},{"type":"paragraph","attrs":{"id":"1c475228-e2ec-4fab-9a4e-ac372d7f17b8","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"k_z通常来自通过光电子末态模型推算得到。"}]},{"type":"paragraph","attrs":{"id":"91a5d2a8-71ba-42f1-add4-d45b5e215ac2","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"因此："}]},{"type":"bulletList","attrs":{"id":"bb17e595-688b-48a1-89b4-90324c372c8b","isHoverDragHandle":false},"content":[{"type":"listItem","attrs":{"id":"57b27743-7cef-45e1-87f1-0671ad4cee9b"},"content":[{"type":"paragraph","attrs":{"id":"e64857f4-4f88-4916-a23c-6bd8b07c5bdc","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"bulk 样品能扫描 photon energy 得到 kz dispersion；"}]}]},{"type":"listItem","attrs":{"id":"aa606674-7fca-42c7-b42d-0d629782735a"},"content":[{"type":"paragraph","attrs":{"id":"c44c047f-4073-4de1-922b-b181a48ad2ba","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"真正二维材料通常几乎没有 photon-energy dependence；"}]}]},{"type":"listItem","attrs":{"id":"a99caecf-e425-4ba0-b084-fd3fa1f49d41"},"content":[{"type":"paragraph","attrs":{"id":"10510ff4-edbf-4b10-a783-9224fb7233bf","textAlign":"inherit","indent":0,"color":null,"background":null,"isHoverDragHandle":false},"content":[{"type":"text","marks":[{"type":"textStyle","attrs":{"color":"","background":""}}],"text":"如果仍存在明显 kz 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