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--- potentials:bage [2020/09/27 11:38] – created daniel
+++ potentials:bage [2020/09/27 11:49] – daniel
@@ Line 1: / Line 1: @@
 ~~NOTOC~~
-====== Potentials: AlMnPd ======
+====== Potentials: BaGe ======
 ----
 ===  Summary table  ===
-^ Potential name ^ Al-Mn-Pd ^
+^ Potential name ^ Ba-Ge ^
 | Format | [[models:analytic|analytic]] |
-| Interaction | [[interactions:eam]] |
+| Interaction | [[interactions:adp]] |
-| Elements | Al, Mn, Pd |
+| Elements | Ba, Ge |
-| Reference | [[http://dx.doi.org/10.1103/PhysRevB.85.054201]] |
+| Reference | [[http://dx.doi.org/10.1103/PhysRevB.89.214306]] |
-| Fitted for | Quasicrystal approximants |
+| Fitted for | Thermal conductivity of type I clathrate systems |
 =====  Details  =====
@@ Line 17: / Line 17: @@
 This allows for very accurate calculations of the formation enthalpy of different phases. This potential has
-been used for structure optimization in http://dx.doi.org/10.1103/PhysRevB.84.184203.
+been used for structure optimization in http://dx.doi.org/10.1103/PhysRevB.89.214306.
 ===  Reference  ===
-D. Schopf, P. Brommer, B. Frigan, and H.-R. Trebin\\
+D. Schopf, H. Euchner, and H.-R. Trebin\\
-**Embedded atom method potentials for Al-Pd-Mn phases**\\
+**Effective potentials for simulations of the thermal conductivity of type-I semiconductor clathrate systems**\\
-Phys. Rev. B **85** (5), 054201 (2012).\\
+Phys. Rev. B **89** (21), 214306 (2014).\\
-[[http://dx.doi.org/10.1103/PhysRevB.85.054201|Abstract]]
+[[http://dx.doi.org/10.1103/PhysRevB.89.214306|Abstract]]
 =====  Download  =====